% Encoding: UTF-8
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@article{faucris.115238684,
author = {Ciprian, Jürgen and Arlt, Wolfgang},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
pages = {1623-1629},
peerreviewed = {Yes},
title = {{Adsorption} and desorption of two component systems in active coal},
volume = {81},
year = {2009}
}
@article{faucris.115291484,
author = {Ciprian, Jürgen and Arlt, Wolfgang},
doi = {10.1002/cite.200900054},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
pages = {1623-1629},
peerreviewed = {Yes},
title = {{Adsorption} and desorption of two-component systems on activated carbon},
volume = {81},
year = {2009}
}
@article{faucris.123092904,
author = {Smirnova, Irina and Mamic, S. and Arlt, Wolfgang},
doi = {10.1021/la0345587},
faupublication = {yes},
journal = {Langmuir},
peerreviewed = {Yes},
title = {{Adsorption} of {Drugs} on {Silica} {Aerogels}},
year = {2003}
}
@article{faucris.118892444,
abstract = {In this work, adsorption and crystallization of benzoic acid in different porous carriers (silica aerogel, MCM41, Trisopor glass, zeolite) from supercritical CO(2) solutions is studied. The main purpose is to reveal the influence of the adsorptive properties of the carrier on the crystallization behavior of the solute. Therefore, both adsorption and crystallization processes are studied as a function of carrier's surface properties. Adsorption of the solute and CO(2) is measured in situ using a magnetic suspension balance, whereas crystallization is realized in a high pressure view cell. The carriers could be loaded with up to similar to 35 wt.% of benzoic acid, depending on the nature and the amount of the functional groups of the carrier. The size of the benzoic acid particles obtained inside the aerogel matrix depends on the crystallization conditions and is in the range of similar to 20 nm-50 mu m. The crystallinity of the particles was studied and it is shown that the physical state of the loaded benzoic acid inside the pores of aerogels is influenced by benzoic acid-aerogel surface interactions: strong interactions favor the amorphous form, weak interactions favor crystalline particles. The amorphous form of benzoic acid is shown to be stable over a long time period. Thus, silica aerogels can be used for stabilizing amorphous forms of organic compounds, which can be used for instance in pharmaceutical applications for the improvement of drug bioavailability. (C) 2010 Elsevier B.V. All rights reserved.},
author = {Gorle, Babu Suresh Kumar and Smirnova, Irina and Arlt, Wolfgang},
doi = {10.1016/j.supflu.2010.01.006},
faupublication = {yes},
journal = {Journal of Supercritical Fluids},
keywords = {Aerogels;Supercritical carbon dioxide;Benzoic acid;Adsorptive crystallization},
pages = {249-257},
peerreviewed = {Yes},
title = {{Adsorptive} crystallization of benzoic acid in aerogels from supercritical solutions},
volume = {52},
year = {2010}
}
@article{faucris.115474304,
abstract = {The potential of inorganic polymeric materials - silica aerogels - as tailor-made drug carriers is discussed. It is shown that the dissolution rate of poorly soluble drugs can be significantly changed through the adsorption on silica aerogels. Adsorption takes place in supercritical CO2 and allows distribution of the drugs inside the aerogel matrix on the molecular level. The drug concentration in the aerogel is explicitly determined by the temperature, bulk concentration of the drug in the supercritical phase and the properties of the aerogel (density, pore size distribution and surface area). The release rate of the drug depends on the hydrophobicity of the aerogel. In the case of hydrophilic aerogels, an extremely fast release - even compared with nanocrystals - of drugs is achieved, which is especially advantageous for poorly water-soluble drugs. Hydrophobic aerogels exhibit a slower release which is governed by diffusion. In addition, the possibility of generating organic microparticles inside the pores of the aerogels by precipitation from supercritical solutions is discussed.},
author = {Smirnova, Irina and Suttiruengwong, Supakij and Arlt, Wolfgang},
doi = {10.14356/kona.2005012},
faupublication = {yes},
journal = {KONA Powder and Particle Journal},
keywords = {Adsorption; Aerogels; Drug carriers; Supercritical fluid},
pages = {86-97},
peerreviewed = {Yes},
title = {{Aerogels}: {Tailor}-made carriers for immediate and prolonged drug release},
volume = {23},
year = {2005}
}
@article{faucris.119837564,
abstract = {This contribution describes a concept for the establishment of a competitive energy distribution network based on Liquid Organic Hydrogen Carrier (LOHC) compounds. These compounds are characterized by the fact that they can be loaded and un-loaded with considerable amounts of hydrogen in a cyclic process. This concept links the technical challenge of storing temporary and local energy over-production from regenerative sources with the vision of a sustainable, hydrogen-based mobility. The proposed LOHC compounds have many physico-chemical similarities to diesel. Thus, LOHCs could make use of the existing energy infrastructure (e.g. tank ships, storage tanks or fueling stations) and enable a slow and step-wise replacement of the existing hydrocarbon fuels by alternative LOHC fuels. We consider LOHCs as an attractive way to provide wind and solar energy for mobility applications in the form of liquid energy carrying molecules of similar energy storage densities and manageability as today's fossil fuels.},
author = {Teichmann, Daniel and Arlt, Wolfgang and Wasserscheid, Peter and Freymann, Raymond},
doi = {10.1039/C1EE01454D},
faupublication = {yes},
journal = {Energy and Environmental Science},
pages = {2767},
peerreviewed = {Yes},
title = {{A} future energy supply based on {Liquid} {Organic} {Hydrogen} {Carriers} ({LOHC})},
volume = {4},
year = {2011}
}
@article{faucris.119383704,
abstract = {Liquid organic hydrogen carriers (LOHCs) represent a new concept for energy-storage. LOHCs are able to store a considerable amount of hydrogen and release it on demand without being consumed themselves. A variety of different substances has been proposed recently. One promising group of potential carriers is amine borane based compounds. This contribution introduces the LOHC concept and gives a review over the amine borane based hydrogen carriers. An energetical evaluation using Aspen Plus was performed, and overall efficiencies were calculated. An energy storage system based on azaborines reaches efficiencies of up to 30%. This study shows that still intensive research on synthesis, regeneration, long-term stability, liquefaction, and toxicity is needed before this technique is marketable.},
author = {Müller, Karsten and Stark, Katharina and Müller, Benjamin and Arlt, Wolfgang},
doi = {10.1021/ef300516m},
faupublication = {yes},
journal = {Energy & Fuels},
pages = {3691-3696},
peerreviewed = {Yes},
title = {{Amine} {Borane} {Based} {Hydrogen} {Carriers}: {An} {Evaluation}},
volume = {26},
year = {2012}
}
@article{faucris.115158164,
abstract = {An estimation method for thermal conductivity in the gas as well as in the liquid phase is presented in this work. The models are based on group contributions of the second-order. Temperature dependence could be described well if a valid reference temperature is used as an additional input parameter. For the gas phase the critical temperature was chosen as the reference temperature, and for the liquid phase the normal boiling temperature was chosen. Relative errors are within a magnitude of 10 % for the gas phase and 7 % to 14 % for the liquid phase. Estimation quality is high for small as well as for high absolute values of the thermal conductivity and independent of substance class or molecule size.},
author = {Müller, Karsten and Arlt, Wolfgang},
doi = {10.1021/je4004349},
faupublication = {yes},
journal = {Journal of Chemical and Engineering Data},
pages = {946-953},
peerreviewed = {Yes},
title = {{An} {Estimation} {Method} for {Thermal} {Conductivity} in the {Fluid} {Phase}},
volume = {59},
year = {2014}
}
@article{faucris.115200844,
abstract = {A new concept for storage and superregional transport of solar energy from the earth's desert belt is proposed. The concept is based on solid alkaline earth metal compounds, showing an energy-rich and an energy-lean state which are used in an energy distribution cycle. The concept is evaluated with regard to overall solar-to-electricity efficiency and benchmarked by the overall efficiency of the DESERTEC concept. For a scenario assuming that the current share of electricity production from lignite coal in Germany is replaced by the here proposed concept, the CO(2) mitigation potential is calculated. The assessment shows that the proposed concept can compete with the benchmark and even shows high potential for optimization.},
author = {Müller, Benjamin and Arlt, Wolfgang and Wasserscheid, Peter},
doi = {10.1039/c1ee01595h},
faupublication = {yes},
journal = {Energy and Environmental Science},
pages = {4322-4331},
peerreviewed = {unknown},
title = {{A} new concept for the global distribution of solar energy: energy carrying compounds},
volume = {4},
year = {2011}
}
@article{faucris.106275004,
author = {Clausen, Iven and Arlt, Wolfgang},
doi = {10.1002/1522-2640(200007)72:7<727::AID-CITE727>3.0.CO;2-S},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{A} priori-{Berechnung} von {Phasengleichgewichten} für die thermische {Verfahrenstechnik} mit {COSMO}-{RS}},
year = {2000}
}
@article{faucris.121140184,
abstract = {The physical as well as the chemical solubility of carbon dioxide in several ionic liquids were predicted with quantum chemical a priori methods. The physical solubility was described with the model COSMO-RS. The results were compared to experimental data. Both a qualitative and based on the concept of relative solubility quantitative benchmark for the solvents were possible. For the part of chemical absorption, the free reaction enthalpy, ?Rg, and reaction enthalpy, ?Rh, were determined with DFT calculations on the B3LYP/def2-TZVPP level. By combining reaction and phase equilibrium, the CO2 loading of the reactive solvents were predicted. The results were validated with literature data. An approach was developed for a quantitative a priori description of both physical and chemical solvation of CO2.},
author = {Völkl, Johannes and Müller, Karsten and Mokrushina, Liudmila and Arlt, Wolfgang},
doi = {10.1002/ceat.201100319},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
keywords = {Carbon dioxide;Ionic liquids;Prediction;Reactive absorption},
pages = {579-583},
peerreviewed = {unknown},
title = {{A} {Priori} {Property} {Estimation} of {Physical} and {Reactive} {CO2} {Absorbents}},
volume = {35},
year = {2012}
}
@inproceedings{faucris.119070864,
abstract = {A review. The prediction quality of COSM O-RS was evaluated by exptl. ref. data taken from the literature. In this paper influence of the solute soly. on the reaction rate in SILP catalyst system was examd. for the hydrogenation of propene. In this paper COSMO-RS can be judged to be powerful tool for the prediction of solute soly. in ionic liqs. [on SciFinder(R)]},
author = {Arlt, Wolfgang and Buchele, Alexander},
booktitle = {Supported Ionic Liq.},
faupublication = {yes},
keywords = {ionic liq priori selection review},
pages = {191-207},
peerreviewed = {Yes},
publisher = {Wiley-VCH Verlag GmbH & Co. KGaA},
title = {{A} priori selection of the type of ionic liquid.},
year = {2014}
}
@misc{faucris.122384724,
abstract = {The present application relates to an arrangement for the advantageous construction of a hydrogen filling station. A particular chem. compd. class, called liq. org. hydrogen carrier (LOHC), is dehydrogenated to a and the hydrogen formed is pressurized by compression in the tank of a vehicle during refueling. LOHC compds. store, per L, almost double the amt. of hydrogen compared to a 700 bar tank, but are themselves stored at ambient temp. and pressure. In embodiments, N-ethylcarbazole, N-(1-Propyl)carbazole or N-isopropylcarbazole, preferably N-ethylcarbazole, is used as LOHC in its energy-poor form. The energy-rich LOHC may be at least partially produced at the site of the service station by by renewably produced electricity, water electrolysis and hydrogenation. [on SciFinder(R)]},
author = {Arlt, Wolfgang and Wasserscheid, Peter},
faupublication = {yes},
keywords = {hydrogen filling station liq org hydrogen carrier vehicle refueling},
peerreviewed = {automatic},
title = {{Arrangement} and method for operating hydrogen filling stations.},
year = {2013}
}
@misc{faucris.113104024,
abstract = {This patent relates to an arrangement for supplying energy to buildings, comprising at least one external connection for providing an elec. current, at least one electrolyzer for producing H from H2O using the elec. current from the connection, at least one 1st chem. reactor for at least partially hydrating at least one substrate with an extended π-conjugated system using the H formed in the electrolyzer, at least one storage tank for storing the substrate which is at least partially hydrated in the 1st chem. reactor, at least one 2nd chem. reactor for at least partially dehydrating the at least partially hydrated substrate produced in the 1st chem. reactor and stored in the storage tank releasing H, and at least one fuel cell for oxidn. of the H released in the 2nd chem. reactor so as to release energy. The present invention likewise relates to a method for supplying energy using this arrangement, wherein the energy is used for heating or cooling the building. In the case where the building does not have a requirement for either heat or cold, a thermal store can be added. The financial gain is achieved as a result of the thermal store and the storage of elec. current. [on SciFinder(R)]},
author = {Arlt, Wolfgang and Wasserscheid, Peter},
faupublication = {yes},
keywords = {arrangement energy storage supply building hydrogen power},
peerreviewed = {automatic},
title = {{Arrangement} and method for storing energy in buildings and supplying energy to buildings.},
year = {2013}
}
@misc{faucris.122388684,
abstract = {The application relates to an arrangement for supplying energy to detached buildings, comprising: ≥1 energy-generating installation, in particular a photovoltaic installation, for providing an elec. current, ≥1 electrolyzer for producing hydrogen from water using the elec. current from the energy-generating installation, ≥1 first chem. reactor for at least partially hydrating ≥1 substrate with an extended n-conjugated system using the hydrogen formed in the electrolyzer, ≥1 storage tank for storing the substrate hydrated at least partially in the first chem. reactor, ≥1 second chem. reactor for at least partially dehydrating the at least partially hydrated substrate which was produced in the first chem. reactor and stored in the storage tank with the release of hydrogen, and ≥1 fuel cell for the oxidn. of the hydrogen released in the second chem. reactor with the release of energy. The invention likewise relates to a method for supplying energy using this arrangement. [on SciFinder(R)]},
author = {Arlt, Wolfgang and Wasserscheid, Peter},
faupublication = {yes},
keywords = {energy supply arrangement building},
peerreviewed = {automatic},
title = {{Arrangement} and method for supplying energy to buildings.},
year = {2013}
}
@misc{faucris.113104244,
abstract = {The application concerns an arrangement for autonomous supply of electricity over hydrogen including: making an elec. current available from a regenerative source; making hydrogen of water using an electrolyzer and elec. current from that as a renewable energy source; the formed hydrogen is supplied from the chem. reactor by partial hydrogenation of the substrate; supplying the partly hydrogenated substrate from the chem. reactor into a storage; dehydrogenation into a second chem. reactor to release of hydrogen, and transformation of the hydrogen into elec. energy. [on SciFinder(R)]},
author = {Arlt, Wolfgang and Wasserscheid, Peter},
faupublication = {yes},
keywords = {app autonomous electricity hydrogen hydrogenation dehydrogenation},
peerreviewed = {automatic},
title = {{Arrangement} and process for autonomous supply of electricity over hydrogen.},
year = {2013}
}
@book{faucris.121484484,
abstract = {In an azeotropic distillation process, a third component, the entrainer, is added to a binary mixture to influence the azeotropic system in such a way that collection of pure products is possible. For better understanding, first the concept of residual curves and distillation lines is introduced. These give a graphical representation of the distillation of a three-component mixture, which is always the case with azeotropic distillation. With such diagrams, the mechanism of azeotropic distillation based on the thermodynamic behavior of the three-component system can be explained.The entrainer is the added (third) component of the binary mixture that is to be separated to create a suitable azeotrope. What is "suitable" can be found by applying a priori thermodynamical tools like the conductor-like screening model for real solvents. The last section of this chapter shows the application of azeotropic distillation for the separation of ethanol and water with toluene as the entrainer in a technical process. In this process, the formation of a ternary heteroazeotrope is utilized for the separation.},
author = {Arlt, Wolfgang},
doi = {10.1016/B978-0-12-386878-7.00007-3},
faupublication = {yes},
isbn = {9780123868787},
keywords = {Azeotropic distillation; Conductor-like screening model for real solvents (COSMO-RS); Distillation line; Entrainer; Heteroazeotrope},
pages = {247-259},
peerreviewed = {Yes},
publisher = {Elsevier Inc.},
title = {{Azeotropic} {Distillation}},
year = {2014}
}
@article{faucris.123047364,
author = {Seiler, Matthias and Gross, Joachim and Bungert, Bernd and Sadowski, Gabriele and Arlt, Wolfgang},
doi = {10.1002/1522-2640(200007)72:7<722::AID-CITE722>3.0.CO;2-B},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Berechnung} von {Fest}/{Fluid}-{Phasen}-gleichgewichten bei erhöhten {Drücken}},
year = {2000}
}
@article{faucris.123053524,
author = {Boysen, H. and Wozny, G. and Laiblin, Tobias and Arlt, Wolfgang},
doi = {10.1002/1522-2640(200203)74:3<294::AID-CITE294>3.0.CO;2-3},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{CFD}-{Simulation} von präparativen {Chromatographiesäulen} unter {Berücksichtigung} von {AdsorptionsisothermenCFD}-{Simulation}},
year = {2002}
}
@article{faucris.122967724,
author = {Arlt, Wolfgang and Spuhl, Oliver and Klamt, Andreas},
doi = {10.1016/S0255-2701(03)00117-X},
faupublication = {yes},
journal = {Chemical Engineering and Processing},
peerreviewed = {Yes},
title = {{Challenges} in thermoydynamics},
year = {2004}
}
@article{faucris.115478264,
author = {Arlt, Wolfgang and Kreysa, G.},
doi = {10.1002/cite.200690021},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Climate} protection in the responsibility of science and engineering},
volume = {78},
year = {2006}
}
@article{faucris.123422464,
abstract = {A high viscosity index (VI) is crucial for lubricants in industrial gearboxes exposed to changing load or weather conditions. Especially in the field of wind turbine oil, viscosity indices of 150 or higher are demanded to reduce power losses and ensure reliability at the same time. In this context, the use of dissolved CO2 to improve viscositytemperature behavior has been investigated for task-specific, halogen-free ionic liquids and benchmarked against poly(alpha-olefins). By measuring the viscosity and density of the lubricants with dissolved CO2, it was proven that the VI can be increased significantly, even at moderate pressures. In addition, measurements and simulation on CO2 solubility and studies on corrosion and tribology under CO2 pressure are presented.},
author = {Pohrer, Benjamin and Zürcher, Manuel and Westerholt, Antje and Bösmann, Andreas and Siebert, Daniel and Völkl, Johannes and Holweger, Walter and Wehrum, Natalie and Arlt, Wolfgang and Wasserscheid, Peter and Schlücker, Eberhard},
doi = {10.1021/acs.iecr.5b00494},
faupublication = {yes},
journal = {Industrial & Engineering Chemistry Research},
pages = {5810-5819},
peerreviewed = {Yes},
title = {{CO2} as a {Viscosity} {Index} {Improver} for {Wind} {Turbine} {Oils}},
volume = {54},
year = {2015}
}
@article{faucris.123052204,
author = {Lenz, Konstantin and Beste, York A. and Arlt, Wolfgang},
doi = {10.1081/SS-120002739},
faupublication = {yes},
journal = {Separation Science and Technology},
peerreviewed = {Yes},
title = {{Comparison} of static and dynamic measurements of adsorption isotherms},
year = {2002}
}
@article{faucris.117366744,
author = {Dünnebeil, S. and Sadowski, Gabriele and Arlt, Wolfgang},
doi = {10.1016/0923-0467(95)03026-3},
faupublication = {yes},
journal = {Chemical Engineering Journal and the Biochemical Engineering Journal},
peerreviewed = {Yes},
title = {{Comparison} of two predictive g {E} models for vapour—liquid equilibrium calculations},
year = {1996}
}
@article{faucris.214174058,
abstract = {Experimental investigation and determination of the operation characteristics of an Annular Centrifugal Contactor/Extractor (ACC/E) with various parameter combinations of fluid load and rotational speed were performed by applying non-invasive Computer Tomography (CT) measurement technique. A laboratory ACC/E is designed and manufactured by 3D rapid prototyping using laser sintering method. Further, to achieve a suitable attenuation contrast in CT images between the aqueous phase (distilled water) and organic phase (n-butanol), 10 wt.-% of potassium iodide is used. Therewith the liquid hold-up in the annular gap and the bottom region as well as the flow pattern and the separation process within the rotating cylinder are quantified in detail. The influence of the rotational speed and the volume flow on the operation characteristics is investigated for the first time in 3D resolution. Especially the visual representation of a dispersion band and wedge is a step forward in research and design issues of ACC/E. Thus, the present study shows impressively how a non-invasive measurement technique helps to understand complex equipment for liquid-liquid separation processes. Finally, the results of this work can be used for validation of CFD simulations and for further design improvement. (C) 2018 Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.},
author = {Eggert, Armin and Koegl, Thilo and Arlt, Wolfgang and Jupke, Andreas},
doi = {10.1016/j.cherd.2018.11.034},
faupublication = {yes},
journal = {Chemical Engineering Research & Design},
note = {CRIS-Team WoS Importer:2019-03-22},
pages = {143-153},
peerreviewed = {Yes},
title = {{Computer} tomographic detection of the liquid-liquid mixing and separation within the {Annular} {Centrifugal} {Contactor}/{Extractor}},
volume = {142},
year = {2019}
}
@inproceedings{faucris.115574844,
abstract = {Homogeneous hydrogenation reactions are usually carried out in org. solvents but Oehme [1] has shown that e.g. Hydrogenation reactions can be transferred to water if surfactants are used as solubilizer. At surfactant concns. higher than the crit. micelle concn. (cmc), the surfactant monomers form micelles (nanoreactors) in which the catalyst can be embedded and where the reaction takes place. After reaction the micelles and therefore the catalyst can be sepd. from the reaction mixt. by an ultrafiltration membrane. For the development of a continuous hydrogenation process, more information about the hydrogenation in micellar solns. and the filtration of micellar solns. is needed. In this contribution we discuss parameters that influence the process performance and show examples for the continuous rhodium catalyzed hydrogenation reaction in micellar soln. We thank German National Science Foundation (grant SCHO 687/7-1) for financial support. [on SciFinder(R)]},
author = {Schwarze, Michael and Milano-Brusco, J. S. and Wille, Susanne and Mokrushina, Liudmila and Smirnova, Irina and Arlt, Wolfgang and Schomäcker, Reinhard},
booktitle = {Abstracts of Papers, 239th ACS National Meeting, San Francisco, CA, United States, March 21-25, 2010},
faupublication = {yes},
pages = {IEC-84},
peerreviewed = {Yes},
publisher = {American Chemical Society},
title = {{Continuous} homogeneous hydrogenation reaction in micellar solution.},
year = {2010}
}
@book{faucris.120503724,
abstract = {The conductor-like screening model for realistic solvation (COSMO-RS) method has been established as a novel way to predict thermophysical data for liquid systems and has become a frequently used alternative to force field based molecular simulation methods on one side and group contribution methods on the other. Through its unique combination of a quantum chemical treatment of solutes and solvents with an efficient statistical thermodynamics procedure for the molecular surface interactions, it enables the efficient calculation of many properties that other methods can barely predict. This review presents a short delineation of the theory, the application potential and limitations of COSMO-RS, and its most important application areas.},
author = {Klamt, Andreas and Eckert, Frank and Arlt, Wolfgang},
doi = {10.1146/annurev-chembioeng-073009-100903},
faupublication = {yes},
keywords = {chemical potentials;activity coefficients;partition coefficients;solubility;mixture thermodynamics;ionic liquids},
month = {Jan},
pages = {101-122},
peerreviewed = {Yes},
publisher = {Annual Reviews},
title = {{COSMO}-{RS}: {An} {Alternative} to {Simulation} for {Calculating} {Thermodynamic} {Properties} of {Liquid} {Mixtures}},
volume = {1},
year = {2010}
}
@article{faucris.115482884,
abstract = {Partitioning of active agents between polar and nonpolar phases has a key role in the early stage of drug and drug-carrier design in the pharmaceuticals industry, as well as for separation of products in biosynthesis. In the present paper, the group-contribution Universal Quasi-Chemical Functional-Group Activity Coefficient (UNIFAC) and the a priori Conductor-like Screening Model for Real Solvents (COSMO-RS) models are applied to predict micelle/water partition coefficients. The models allow predictions based only on the molecular structure. The practical implementation of the models is examined by studying several homologous series of organic solutes in aqueous solutions of non-ionic (polyethoxy alcohols) and ionic surfactants (sodium dodecyl sulfate (SDS)). Good quantitative agreement with experimental data from the literature has been achieved. Factors that seem to be important in the calculation and to influence the prediction results are discussed. Among these are interfacial contribution and conformation analysis. Compared to UNIFAC, the COSMO-RS method opens up new perspectives, because ionic components, steric isomers, and inorganics can be modeled. © 2007 American Chemical Society.},
author = {Mokrushina, Liudmila and Buggert, Matthias and Smirnova, Irina and Arlt, Wolfgang and et al.},
author_hint = {Mokrushina L., Buggert M., Smirnova I., Arlt W., Schomäcker R.},
doi = {10.1021/ie0704849},
faupublication = {yes},
journal = {Industrial & Engineering Chemistry Research},
pages = {6501-6509},
peerreviewed = {Yes},
support_note = {Author relations incomplete. You may find additional data in field 'author{\_}hint'},
title = {{COSMO}-{RS} and {UNIFAC} in prediction of micelle/water partition coefficients},
volume = {46},
year = {2007}
}
@article{faucris.115238904,
abstract = {This work is encouraged by the growing interest and recent success of quantum mechanics-based methods in modeling of thermodynamic properties in the field of chemical engineering and life sciences. Among those, the COSMO-RS model has become one of the most popular methods to predict phase equilibria in complex bio-related systems. Recently, we have shown that the quality of predictions of n-octanol/water and micelle/water partition coefficients is improved when the weighted mixtures of conformers are used to represent molecules, thereby demanding that the conformation analysis is performed for each component of the system. In this paper, different methods for performing the conformational search are evaluated. Micelle/water partition coefficients of solutes from different homologous series in aqueous solutions of Triton X100 as well as the n-octanol/ water partitioning of three common drugs (aminopinicillanic acid, ampicillin, and penicillin G) are calculated and compared with experimental data. Conformational analysis is made by the HyperChem program for the molecules placed in vacuum as well as by using the molecular dynamics simulation in a solvent medium (n-octanol and water). It is demonstrated that molecular dynamics simulation is a promising tool to conduct conformational analysis. Along with the possibility of providing the conformers for large Surfactant and pharmaceutical molecules, the method accounts for the solvent in a realistic manner. The results for micelle/water partition coefficients illustrate that n-octanol is a reasonable approximation for the "micelle-like" medium in molecular dynamics (MD) simulations. Predicted n-octanol/water partition coefficients of three penicillins are in a good agreement with literature data and values Calculated by a common quantitative structure-activity relationship (QSAR).},
author = {Buggert, Matthias and Cadena, Cesar and Mokrushina, Liudmila and Smirnova, Irina and Maginn, Edward J. and Arlt, Wolfgang},
doi = {10.1002/ceat.200800654},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
keywords = {Conformation;COSMO-RS;Drug;Molecular dynamics;Octanol/water and micelle/water partition coefficients},
pages = {977-986},
peerreviewed = {Yes},
title = {{COSMO}-{RS} {Calculations} of {Partition} {Coefficients}: {Different} {Tools} for {Conformational} {Search}},
volume = {32},
year = {2009}
}
@article{faucris.117488624,
author = {Krieger, Christoph and Müller, Karsten and Arlt, Wolfgang},
doi = {10.1002/ceat.201600180},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
peerreviewed = {Yes},
title = {{Coupling} of a {Liquid} {Organic} {Hydrogen} {Carrier} system with industrial heat},
year = {2016}
}
@article{faucris.111940884,
abstract = {In this work crystallization of organic compounds in silica aerogels is studied. The effect of density and surface properties of silica aerogels on crystallization of a model substance, naphthalene, from supercritical CO2 is investigated. It is shown that the surface properties of aerogels play a significant role in affecting the crystallization process. Loadings up to 55 wt% could be achieved for hydrophilic aerogels whereas hydrophobic aerogels could be loaded with ca. 40 wt% of naphthalene. Naphthalene crystals in the range of 500 nm-2 mm were obtained inside the aerogel matrix depending on the crystallization conditions. The potential of this process as "adsorptive crystallization" is discussed. © 2007 Elsevier B.V. All rights reserved.},
author = {Gorle, Babu Suresh Kumar and Smirnova, Irina and Dragan, M. and Dragan, S. and Arlt, Wolfgang},
doi = {10.1016/j.supflu.2007.08.004},
faupublication = {yes},
journal = {Journal of Supercritical Fluids},
keywords = {Adsorptive crystallization; Aerogels; Supercritical carbon dioxide},
note = {UnivIS-Import:2015-03-09:Pub.2008.tech.ITC.LTCIT.crysta},
pages = {78-84},
peerreviewed = {Yes},
title = {{Crystallization} under supercritical conditions in aerogels},
year = {2008}
}
@article{faucris.120126864,
author = {Arlt, Wolfgang},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
pages = {735},
peerreviewed = {Yes},
title = {{Departure} from continuous operation of large chemical plants?.},
volume = {83},
year = {2011}
}
@article{faucris.109590624,
author = {Maaßen, Siegmar and Knapp, Helmut and Arlt, Wolfgang},
doi = {10.1016/0378-3812(95)02906-0},
faupublication = {yes},
journal = {Fluid Phase Equilibria},
peerreviewed = {Yes},
title = {{Determination} and correlation of {Henry}'s law coefficients, activity coefficients and distribution coefficients for environmental use},
year = {1996}
}
@article{faucris.115787364,
abstract = {Liquid organic hydrogen carriers (LOHC) are an interesting option for hydrogen storage and transportation. This concept is based on reversible hydrogenation and dehydrogenation of a carrier compound for uptake and release of hydrogen respectively. Among others, dibenzyltoluene is a potential LOHC due to its reasonable hydrogen storage capacity (6.2 ma-%) and high thermal stability. However, a huge number of stable intermediates with different degrees of hydrogenation are observed in a partially hydrogenated reaction mixture of dibenzyltoluene. For the process development and studies of the dibenzyltoluene reaction mechanism, it is crucial to determine physico-chemical properties of its various partially hydrogenated fractions, which requires their isolation from the reaction mixture. In this work, a reversed-phase high performance liquid chromatography (RP-HPLC) method for the separation and purification of partially hydrogenated mixtures of dibenzyltoluene is presented. The method was developed and validated at analytical scale and successfully scaled up to semi-preparative scale. The mixture was separated into four fractions according to their degree of hydrogenations using phenylhexyl silica stationary phase and a mobile phase consisting of acetone/water (96/4, v/v). Fractions with purity above 98% and yield higher than 90% were obtained in a semi-preparative column with an internal diameter of 50 mm.},
author = {Aslam, Rabya and Minceva, Mirjana and Müller, Karsten and Arlt, Wolfgang},
doi = {10.1016/j.seppur.2016.01.051},
faupublication = {yes},
journal = {Separation and Purification Technology},
keywords = {Dibenzyltoluene; Liquid organic hydrogen carrier (LOHC); Polyaromatics separation; Preparative HPLC},
pages = {140-144},
peerreviewed = {Yes},
title = {{Development} of a liquid chromatographic method for the separation of a liquid organic hydrogen carrier mixture},
volume = {163},
year = {2016}
}
@article{faucris.115183464,
abstract = {The transesterification of propylene carbonate with methanol to form dimethyl carbonate has been carried out in the presence of strong basic ion exchange resins as heterogeneous catalysts at low temperatures. Experiments have been carried out in a 75 mL autoclave as well as in a continuous flow fixed bed reactor. Temperatures were varied between -20 and 40 degrees C without any additional pressure. The molar ratio of methanol and propylene carbonate was adjusted between 8:1 and 4:1. The ion exchange resins showed a high activity even below 0 degrees C when OH- is used as counter ion. Leaching tests resulted in a complete hold of the conversion after removing the catalyst. In the continuous reactor the catalysts suffered from a rather fast deactivation within one week due to the transformation of the counter ion hydroxide to carbonate. However, a regeneration of the catalyst using different basic liquids was possible resulting in a complete recovery of its catalytic activity. (C) 2011 Elsevier B.V. All rights reserved.},
author = {Pyrlik, Axel and Hoelderich, Wolfgang F. and Müller, Karsten and Arlt, Wolfgang and Strautmann, Julia and Kruse, Daniela},
doi = {10.1016/j.apcatb.2011.09.033},
faupublication = {yes},
journal = {Applied Catalysis B-Environmental},
keywords = {Transesterification;Ion exchange resin;Dimethyl carbonate;Propylene carbonate;DMC},
pages = {486-491},
peerreviewed = {Yes},
title = {{Dimethyl} carbonate via transesterification of propylene carbonate with methanol over ion exchange resins},
volume = {125},
year = {2012}
}
@article{faucris.109118944,
author = {Fikrt, André and Brehmer, Richard and Milella, Vito-Oronzo and Müller, Karsten and Bösmann, Andreas and Preuster, Patrick and Alt, Nicolas and Schlücker, Eberhard and Wasserscheid, Peter and Arlt, Wolfgang},
doi = {10.1002/201600388},
faupublication = {yes},
journal = {Applied Energy},
peerreviewed = {Yes},
title = {{Dynamic} power supply by hydrogen bound to a liquid organic hydrogen carrier},
year = {2017}
}
@article{faucris.115588044,
author = {Arlt, Wolfgang},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
pages = {1989},
peerreviewed = {Yes},
title = {{Editorial}. {Climate} protection - the scientific pursuit has begun.},
volume = {79},
year = {2007}
}
@article{faucris.115219764,
abstract = {In this work, the possibility of the a priori predictive model COSMO-RS to describe partitioning of pharmaceutically active compounds in the octanol-water system (P(OW)) in the presence of electrolytes is investigated. It is shown that the calculated values of P(OW) depend on the pH and the ionic strength of the solution for both dissociated and non-dissociated solutes. Whereas the partitioning of the non-dissociated form in the presence of salts or buffers can be explicitly described by COSMO-RS, the partitioning of the ionized pharmaceuticals is taken into account by their dissociation constants. Overall, reasonable agreement with experimental values is achieved. Principally, these types of calculations can be extended to other two-phase systems used for extraction and formulations of pharmaceuticals and further organic solutes.},
author = {Wille, S. and Buggert, Matthias and Mokrushina, Liudmila and Arlt, Wolfgang and Smirnova, I.},
doi = {10.1002/ceat.201000045},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
keywords = {Modeling;Partition coefficient;Surfactants;Two-phase system},
pages = {1075-1082},
peerreviewed = {Yes},
title = {{Effect} of {Electrolytes} on {Octanol}-{Water} {Partition} {Coefficients}: {Calculations} with {COSMO}-{RS}},
volume = {33},
year = {2010}
}
@article{faucris.115158824,
abstract = {This study presents a thermodynamic analysis of adsorptive hydrogen storage systems at cryogenic temperatures, focusing mainly on the efficiency of the storage system. Four different operation modes, differing in the process used to release the hydrogen and the availability of cooling during storage time, are examined. A sensitivity analysis was performed to determine the dependency of the efficiency on several input parameters including storage time, enthalpy of adsorption, energy required for cooling, and system size. It can be concluded that the energetic efficiency of the hydrogen storage system not considering production and usage steps ranges from 65 to 81% for short storage times, depending on the energy effort and hydrogen losses of the applied operation mode. The storage time has the most noticeable impact on efficiency and cryo-adsorptive hydrogen storage is not suitable for long storage times due to the increasing cooling effort or hydrogen losses. For short storage times e.g. hours, cooling during storage time may be omitted due to the low hydrogen losses. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.},
author = {Adametz, Patrick and Müller, Karsten and Arlt, Wolfgang},
doi = {10.1016/j.ijhydene.2014.07.157},
faupublication = {yes},
journal = {International Journal of Hydrogen Energy},
keywords = {Energy storage;Hydrogen;Adsorption;Efficiency;Storage density;Thermodynamic analysis},
pages = {15604-15613},
peerreviewed = {Yes},
title = {{Efficiency} of low-temperature adsorptive hydrogen storage systems},
volume = {39},
year = {2014}
}
@inproceedings{faucris.123302344,
author = {Arlt, Wolfgang and Adametz, Patrick and Müller, Karsten},
booktitle = {Sustainable Engineering Forum 2014 - Core Programming Area at the 2014 AIChE Annual Meeting},
faupublication = {yes},
isbn = {9781510812741},
peerreviewed = {Yes},
publisher = {AIChE},
title = {{Efficient} hydrogen storage: {LOHC} vs. other technologies},
url = {https://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84958582348&origin=inward},
year = {2014}
}
@article{faucris.121368764,
author = {Behme, Stefan and Arlt, Wolfgang},
doi = {10.1002/cite.330670613},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Eine} verbesserte {Apparatur} zur {Messung} von {Dampfdrücken} über konzentrierten {Polymerlösungen} und die {Anwendung} der {Meßdaten} bei der thermodynamischen {Simulation} eines {Ausdampfextuders}},
year = {1995}
}
@article{faucris.117488844,
author = {Adametz, Patrick and Müller, Karsten and Arlt, Wolfgang},
doi = {10.1002/er.3563},
faupublication = {yes},
journal = {International Journal of Energy Research},
peerreviewed = {Yes},
title = {{Energetic} evaluation of hydrogen storage in metal hydrides},
year = {2016}
}
@article{faucris.120502404,
abstract = {The proceeding increase in the share of renewable energies requires a fast allocation of chemical energy storage capacities. One option is the feeding-in of renewable hydrogen into the natural gas distribution system. A thermodynamic evaluation shows that the feeding-in has a good overall efficiency compared to other chemical storage technologies. Due to the limited intake capacity of the distribution system, the available capacities are not sufficient for a total shift of the energy system to renewable sources. Nevertheless, it can, as one of a group of measures, contribute to a general energy storage system.},
author = {Müller, Karsten and Geng, Jin and Völkl, Johannes and Arlt, Wolfgang},
doi = {10.1002/cite.201200023},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
keywords = {Chemische Speicher;Energiespeicher;Erdgasnetz;Exergie;Wasserstoffeinspeisung;Chemical storage;Energy storage;Exergy;Feeding-in of hydrogen;Natural gas distribution system},
pages = {1513-1519},
peerreviewed = {Yes},
title = {{Energetic} {Evaluation} of the {Feeding}-in of {Hydrogen} into the {Natural} {Gas} {Distribution} {System}},
volume = {84},
year = {2012}
}
@article{faucris.121900944,
author = {Beck, Michael and Müller, Karsten and Arlt, Wolfgang},
doi = {10.1002/cite.201400106},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Energetische} {Evaluierung} von {Kältespeichern} und {Abwärmenutzung} für {Kühl}- und {Gefrieranwendungen}},
year = {2015}
}
@article{faucris.123186184,
author = {Arlt, Wolfgang and Wasserscheid, Peter},
doi = {10.1002/cite.201250509},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Energieversorgung} über flüssige {Wasserstoffträger}},
year = {2012}
}
@article{faucris.117496764,
author = {Obermeier, Jonas and Müller, Benjamin and Müller, Karsten and Arlt, Wolfgang},
doi = {10.1002/ente.201500241},
faupublication = {yes},
journal = {Energy Technology},
peerreviewed = {Yes},
title = {{Energy} {Storage} and {Transportation} {Based} on {Solar} {Irradiation}-{Aided} {CaO}-{Looping}},
year = {2015}
}
@article{faucris.121140404,
abstract = {Reconstructing current energy infrastructures dominated by fossil fuels towards a high share of renewable energy requires a drastic extension of energy storage capacities. Common storage technologies like compressed air or pumped water are either limited in capacity or have low efficiencies. A promising alternative is proposed with the use of energy carrying compds. for hydrogen storage. This route is shown to offer the possibility to combine high process chain efficiency with lossless energy storage for stationary and mobile applications. In this article, efficiencies for energy storage by methane and N-ethylcarbazole, and energy transport substances are calcd. and compared to each other. [on SciFinder(R)]},
author = {Müller, Benjamin and Müller, Karsten and Teichmann, Daniel and Arlt, Wolfgang},
doi = {10.1002/cite.201100113},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
keywords = {Carbazole;Energy density;Energy transport substances;Hydrogen mobility;Hydrogen storage;Methanation;Storage efficiency},
pages = {2002-2013},
peerreviewed = {Yes},
title = {{Energy} {Storage} by {CO2} {Methanation} and {Energy}-{Providing} {Compounds}: {A} {Thermodynamic} {Comparison}.},
volume = {83},
year = {2011}
}
@article{faucris.114881404,
abstract = {This contribution proposes the usage of Liquid Organic Hydrogen Carriers (LOHC) for the establishment of a decentralised energy storage network. Due to the continually increasing amount of renewable energy within the power grid, in particular in countries of the European Union, a huge demand for storage capacities develops that can hardly be met by large-scale systems alone. Because of their high storage density and good manageability LOHC substances permit the local storage of excess energy in residential and commercial buildings. Following the approach of a CHP system ('combined heat and power' or more precisely a 'combined heat and storage' system), thermal losses from the storage processes can be used for heating (and cooling) purposes in order to increase the overall efficiency. An evaluation of the economic feasibility identifies possible approaches to generate income from storage operation. The usage of exhaust heat for heating proves to significantly support the business case by providing a considerable financial contribution that is usually not exploitable for centralised storage units. © 2012 The Royal Society of Chemistr},
author = {Teichmann, Daniel and Stark, Katharina and Müller, Karsten and Zöttl, Gregor and Wasserscheid, Peter and Arlt, Wolfgang},
doi = {10.1039/c2ee22070a},
faupublication = {yes},
journal = {Energy and Environmental Science},
note = {WiSo-Import:2015-03-26:5048},
pages = {9044-9054},
peerreviewed = {unknown},
title = {{Energy} storage in residential and commercial buildings via {Liquid} {Organic} {Hydrogen} {Carriers} ({LOHC})},
volume = {5},
year = {2012}
}
@article{faucris.123414544,
abstract = {Methanol has been proposed frequently as an energy carrier in recent years. High storage capacity, easy manageability and similarity to existing fuels make it an interesting option for energy storage. However, the usage of methanol is constrained by its low boiling point and its toxicity and the energy balance of a methanol economy is disputable. Net energy ration and renewability factor for different scenarios of a methanol economy have been analyzed, considering hydrogen production, methanol synthesis and transport and repowering. It appears that the overall efficiency of methanol based energy storage is rather low, but still can be sustainable due to a high renewability factors.},
author = {Müller, Karsten and Fabisch, Florian and Arlt, Wolfgang},
doi = {10.1515/green-2013-0028},
faupublication = {yes},
journal = {Green},
keywords = {efficiency; energy storage; energy transport; Methanol},
pages = {19-25},
peerreviewed = {Yes},
title = {{Energy} transport and storage using methanol as a carrier},
volume = {4},
year = {2014}
}
@article{faucris.124036924,
author = {Arlt, Wolfgang},
doi = {10.1002/ceat.200306130},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
peerreviewed = {Yes},
title = {{Engineering} {Solutions} for {Limiting} the {Increase} of {Atmospheric} {Carbon} {Dioxide}},
year = {2003}
}
@article{faucris.107092744,
abstract = {In this work, the enzyme-catalyzed degradation of hyperbranched polyesters (HBPEs) was investigated. Enzymatic degradation experiments were performed in a phosphate buffer in the presence of the lipases Candida cylindracea, Pseudomonas cepacia, Novozym 388, Amano CE, Lipomod 34P, and Cal-B, whereas control experiments were performed in the same system without lipases. The extent of polymer degradation was determined by quantification of the released free fatty acids by gas chromatography. The influence of the alkane chain length and the number of alkane chain end groups on the lipase-catalyzed hydrolysis of esterified HBPEs was investigated systematically. It was found that the increase in file alkane chain length of the end groups diminished the enzymatic degradation of the polymer, whereas the number of end groups had no influence oil the degradation rate. The effect of temperature oil the rate of degradation was also described. Surface morphological changes that occurred during the degradation were assessed with reflected electron microscopy. The changes in the crystallinity of the polymers after they were subjected to degradation were qualitatively determined with differential scanning calorimetry through the quantification Of the enthalpy of melting. The enthalpy of melting of one HBPE sample increased from 79 to 90 and 94 J/g with and without the action of Lipomod 34P, respectively, in 7 days, showing the changes in the crystallinity of the polymer. The results prove that modified HBPEs are an important new class of biodegradable materials with a predictable degradation mechanism, and the degradation can be adjusted oil the basis of the molecular engineering. (C) 2009 Wiley Periodicals, Inc. J Appl Polym Sci 112: 1873-1881, 2009},
author = {Mallepally, Rajendar Reddy and Smirnova, Irina and Arlt, Wolfgang and Seiler, Matthias and Klee-Laquai, Saskia K. and Hills, Geoffrey},
doi = {10.1002/app.29524},
faupublication = {yes},
journal = {Journal of Applied Polymer Science},
keywords = {biodegradable;enzymes;hyperbranched;polyesters},
pages = {1873-1881},
peerreviewed = {Yes},
title = {{Enzymatic} {Degradation} of {Hyperbranched} {Polyesters}},
volume = {112},
year = {2009}
}
@article{faucris.115220864,
abstract = {The semirestricted non-primitive mean spherical approximation (npmsa) is used in combination with the PC-SAFT equation of state to model completely dissociating aqueous alkali halide systems. The salts are described using ion-specific parameters from tables and correlations. Upon analyzing aqueous electrolyte systems at infinite dilution of the salt it was concluded that for the arithmetic mean ion diameter of anion and cation, the semirestricted npmsa contribution gives no reliable results. Therefore, this parameter is adjusted in this work. The model was applied to aqueous alkali halide systems up to the solubility limit at T = 298.15K. Mean ionic activity coefficients and osmotic coefficients were correlated with good results. The model was subsequently applied to temperatures up to T = 373.15K and compared to liquid densities and to system pressures up to the solubility limit of the salts in water. The agreement between experimental data and the proposed equation of state is satisfactory for the liquid densities and excellent in case of the system pressures. (C) 2010 Elsevier B.V. All rights reserved.},
author = {Herzog, Stefanie and Gross, Joachim and Arlt, Wolfgang},
doi = {10.1016/j.fluid.2010.05.024},
faupublication = {yes},
journal = {Fluid Phase Equilibria},
keywords = {Aqueous electrolyte systems;Semirestricted non-primitive mean;spherical approximation (npmsa);PC-SAFT equation of state},
pages = {23-33},
peerreviewed = {Yes},
title = {{Equation} of state for aqueous electrolyte systems based on the semirestricted non-primitive mean spherical approximation},
volume = {297},
year = {2010}
}
@article{faucris.115224824,
abstract = {The flow inside a chromatographic column depends decisively on the packed bed inside. Non-destructive X-ray computed tomography (CT) was applied as a novel measurement technique to visualize the distribution of velocity and axial dispersion coefficients in preparative scale columns. The results show, that spherical particles seem to be more efficient than irregular ones in terms of HETP, which has to be partly a result of the more homogeneous flow profile they induce. The prediction of column performance in dependence of the structure of the packed bed was simulated by CFD (Computational Fluid Dynamics), using a model which besides the hydrodynamics parameters attained by CT also includes adsorption isotherms and mass transfer parameters. The results of the CFD simulation shall help to establish rules for selecting the right adsorption material for a given separation task in advance.},
author = {Schmidt, Irma and Lottes, Florian and Minceva, Mirjana and Arlt, Wolfgang and Stenby, Erling H.},
doi = {10.1002/cite.201000171},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
keywords = {CFD;Chromatography;Column;Computer tomography},
month = {Jan},
pages = {130-142},
peerreviewed = {Yes},
title = {{Estimation} of {Chromatographic} {Columns} {Performances} using {Computer} {Tomography} and {CFD} {Simulations}},
volume = {83},
year = {2011}
}
@article{faucris.115207444,
abstract = {Polysaccharides are the most important components of herbal biomass with a high application potential. Their thermochemical characteristics, however, have been little studied. In the present paper, an effective thermodynamic analysis was carried out with the aim of setting a method for reasonably estimating the thermochemical properties of polysaccharides such as cellulose. The properties of formation and heat capacities were estimated by general thermodynamic methods like group contribution methods as well as methods followed from synthetic polymer studies. The results were compared with those obtained by empirical correlations derived from the data for short chain carbohydrates, the only literature data available for validation. The properties were determined depending on the degree of polymerization and temperature.},
author = {Lobanova, Olga and Müller, Karsten and Mokrushina, Liudmila and Arlt, Wolfgang},
doi = {10.1002/ceat.201000554},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
keywords = {Biomass;Carbohydrate;Formation properties;Group contribution methods;Phase transition;Polysaccharides},
pages = {867-876},
peerreviewed = {unknown},
title = {{Estimation} of {Thermodynamic} {Properties} of {Polysaccharides}},
volume = {34},
year = {2011}
}
@article{faucris.115161904,
abstract = {To make hydrogen a feasible energy carrier, its transformation into another chemical is advisible. Formic acid may constitute an attractive option to store hydrogen in a dense and safe form. The efficiency of formic-acid-based process chains for the storage of hydrogen energy has been evaluated. The efficiency is highly dependent upon the way formic acid is produced. Options based on reactions of hydrogen with carbon dioxide show a rather poor energetic performance, while routes using renewable production of intermediate carbon monoxide can reach competitive efficiencies. For the storage of electrical energy, an overall efficiency of about 12% is possible using the current state of the art technology, but alternative processes show potential for higher efficiencies.},
author = {Schmidt, Irma and Müller, Karsten and Arlt, Wolfgang},
doi = {10.1021/ef501802r},
faupublication = {yes},
journal = {Energy & Fuels},
pages = {6540-6544},
peerreviewed = {Yes},
title = {{Evaluation} of {Formic}-{Acid}-{Based} {Hydrogen} {Storage} {Technologies}},
volume = {28},
year = {2014}
}
@article{faucris.118702364,
abstract = {Liquid organic hydrogen carrier (LOHC) systems offer a very attractive method for the decentralized storage of renewable excess energy. In this contribution, industrially well-established heat-transfer oils (typically sold under trade names, e.g., Marlotherm) are proposed as a new class of LOHC systems. It is demonstrated that the liquid mixture of isomeric dibenzyltoluenes (m.p. -39° to -34°C, b.p. 390°C) can be readily hydrogenated to the corresponding mixture of perhydrogenated angenated to the corresponding mixture of perhydrogenated an-alogues by binding 6.2 wt{\%} of H2. The liquid H2 -rich form can be stored and transported similarly to diesel fuel. It readily undergoes catalytic dehydrogenation at temperatures above 260°C, which proves its applicability as a reversible H2 carrier. The presented LOHC systems are further characterized by their excellent technical availability at comparably low prices, full registration of the H2-lean forms, and excellent thermal stabilities.},
author = {Brückner, Nicole and Obesser, Katharina and Bösmann, Andreas and Teichmann, Daniel and Arlt, Wolfgang and Dungs, Jennifer and Wasserscheid, Peter},
doi = {10.1002/cssc.201300426},
faupublication = {yes},
journal = {Chemsuschem},
pages = {229--235},
peerreviewed = {Yes},
title = {{Evaluation} of {Industrially} {Applied} {Heat}-{Transfer} {Fluids} as {Liquid} {Organic} {Hydrogen} {Carrier} {Systems}},
volume = {7},
year = {2014}
}
@article{faucris.115208764,
abstract = {The chemical equilibrium of the reactive system (propylene carbonate + butanol = dibutyl carbonate +1,2-propanediol) was studied in the temperature range (303 to 373) K. in the liquid phase using the method of sealed ampules using K(2)CO(3) as heterogeneous catalyst. This reactive system exhibits a strong nonideal behavior of the mixture compounds in the liquid phase. The knowledge of the activity coefficients is required in order to obtain the thermodynamic equilibrium constants K(a). A well established procedure, COSMO-RS, has been used to assess activity coefficients of the reaction participants in the liquid phase. Enthalpies of reactions of the dialkyl carbonate synthesis reaction in the liquid phase were obtained from temperature dependences of the corresponding thermodynamic equilibrium constants. For the sake of comparison, high-level ab initio calculations of the reaction participants have been performed using the GAUSSIAN-03 program package. Absolute electronic energy values of the molecules have been obtained using G3MP2 level. Using these results calculated equilibrium constants and enthalpies of reaction of the dialkyl carbonates synthesis in the liquid phase based on the principles of statistical thermodynamics are found to be in acceptable agreement with the data obtained from the thermochemical measurements.},
author = {Verevkin, Sergey P. and Emel'Yanenko, Vladimir N. and Kozlova, Svetlana A. and Smirnova, Irina and Arlt, Wolfgang},
doi = {10.1021/ie2006824},
faupublication = {yes},
journal = {Industrial & Engineering Chemistry Research},
keywords = {chem equil reacting system dialkyl carbonate prepn COSMO G3MP2},
pages = {9774-9780},
peerreviewed = {Yes},
title = {{Experimental} and {Theoretical} {Study} of {Chemical} {Equilibria} in the {Reacting} {System} of the di-{Alkyl} {Carbonate} {Synthesis}},
volume = {50},
year = {2011}
}
@article{faucris.123838264,
abstract = {Liquid Organic Hydrogen Carriers allow for storing hydrogen with high density at ambient conditions. In the LOHC hydrogen storage process, a significant number of different partially and fully hydrogenated species occur on the reaction pathway from the hydrogen-lean to the hydrogen-rich form of the LOHC system. In order to access the amount of hydrogen stored in the carrier system, ways of measuring the degree of hydrogenation are required. A number of physical properties can be correlated with the degree of hydrogenation. However, there are different mixtures of hydrogenated, partly hydrogenated and dehydrogenated derivatives which result in an identical degree of hydrogenation but different properties. In this contribution we report on attempts to correlate physico-chemical properties and spectroscopic data to the degree of hydrogenation of the dibenzyl toluene system by using density, viscosity, refractive index, UV–VIS and Raman spectroscopy measurements. The most reliable correlations were found for density or refractive index.},
author = {Müller, Karsten and Aslam, Rabya and Fischer, Armin and Stark, Katharina and Wasserscheid, Peter and Arlt, Wolfgang},
doi = {10.1016/j.ijhydene.2016.09.196},
faupublication = {yes},
journal = {International Journal of Hydrogen Energy},
keywords = {Fuel gauge; Hydrogen storage; LOHC; Online measurement; Organic hydrides},
pages = {22097-22103},
peerreviewed = {Yes},
title = {{Experimental} assessment of the degree of hydrogen loading for the dibenzyl toluene based {LOHC} system},
volume = {41},
year = {2016}
}
@article{faucris.119895864,
author = {Seiler, Matthias and Arlt, Wolfgang and Kautz, Holger and Frey, Holger},
doi = {10.1016/S0378-3812(02)00082-1},
faupublication = {yes},
journal = {Fluid Phase Equilibria},
peerreviewed = {Yes},
title = {{Experimental} data and theoretical considerations on vapor–liquid and liquid–liquid equilibria of hyperbranched polyglycerol and {PVA} solutions},
year = {2002}
}
@article{faucris.115485084,
abstract = {The efficiency of packed chromatographic columns was investigated experimentally by means of computed tomography (CT) techniques. The measurements were carried out by monitoring tracer fronts in situ inside the chromatographic columns. The experimental results were fitted using the equilibrium dispersive model (EDM) and varying the so called apparent axial dispersion coefficient. The additivity of the first and second central moments was exploited to estimate column efficiency in different regions of the column. The results showed that the columns under investigation offered a higher column efficiency in the centre compared to the wall region. Furthermore the void fraction in the vicinity of the walls was lower than that in the column core. For this reason the bands were conveyed faster in the central region of the column where the permeability was higher. This result is in good agreement with earlier findings. © Springer Science+Business Media, LLC 2007.},
author = {Astrath, Dirk-Uwe and Lottes, Florian and Arlt, Wolfgang and et al.},
author_hint = {Astrath D., Lottes F., Vu D., Arlt W., Stenby E.},
doi = {10.1007/s10450-007-9008-6},
faupublication = {yes},
journal = {Adsorption-Journal of the International Adsorption Society},
keywords = {Chromatography; Computed tomography (CT)},
pages = {9-19},
peerreviewed = {Yes},
support_note = {Author relations incomplete. You may find additional data in field 'author{\_}hint'},
title = {{Experimental} investigation of liquid chromatography columns by means of computed tomography},
volume = {13},
year = {2007}
}
@article{faucris.107326604,
abstract = {Liquid organic hydrogen carriers (LOHC) are one of the potential candidates to assuage the problem of hydrogen storage. Prior to the storage step, hydrogen produced from electrolysis can contain a significant amount of water, which can lead to the formation of an undesired two-phase system in the LOHC storage tanks. In this work, solubility of water in potential liquid organic hydrogen carriers (toluene, dibenzyltoluene, and N-ethylcarbazol) in their hydrogenated and dehydrogenated forms as well as mixtures of these forms have been measured within the temperature range of (293 to 343) K. The solubility of water in LOHC materials is found to increase with temperature. This effect has been correlated using the Tsonopoulos and Wilson equation. Furthermore, various thermodynamic parameters such as Gibbs free energy, enthalpy, and entropy of dissolution were estimated based on the solubility data using the van't Hoff equation.},
author = {Aslam, Rabya and Müller, Karsten and Arlt, Wolfgang},
doi = {10.1021/je501092m},
faupublication = {yes},
journal = {Journal of Chemical and Engineering Data},
pages = {1997-2002},
peerreviewed = {Yes},
title = {{Experimental} {Study} of {Solubility} of {Water} in {Liquid} {Organic} {Hydrogen} {Carriers}},
volume = {60},
year = {2015}
}
@article{faucris.117179084,
author = {Arlt, Wolfgang and Kleinherz, Karl},
doi = {10.1002/cite.330550613},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Extraktionsgleichgewicht}: {Vorausberechnung} in der industriellen {Praxis}},
year = {1983}
}
@article{faucris.121159764,
author = {Arlt, Wolfgang},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
pages = {735-735},
peerreviewed = {Yes},
title = {{Farewell} to the continuous {Operation} of {Large} chemical plants?},
volume = {83},
year = {2011}
}
@article{faucris.123334244,
abstract = {The feasibility of silica aerogels as oral drug delivery systems was investigated. Silica aerogels were loaded with several drugs by adsorption from their solutions in supercritical CO. It was demonstrated that for all three drugs investigated here, high loading of the aerogel could be achieved. The loaded aerogels were characterized by IR- and UV spectroscopy and X-ray diffraction in order to show that no degradation of the drugs occurred during the loading procedure. The release profiles of two drugs (ketoprofen and griseofulvin) from loaded aerogels were measured. It was found that the drugs adsorbed on hydrophilic silica aerogels dissolve faster than the corresponding crystalline drugs. This fact can be explained by both an increase in the specific surface area of the drug adsorbed on the aerogel and its non-crystallinity in this state. The influence of density and hydrophobicity of aerogels on both the adsorption and release of drugs were studied. ©2004 Elsevier B.V. All rights reserved.},
author = {Smirnova, Irina and Suttiruengwong, Supakij and Arlt, Wolfgang},
doi = {10.1016/j.jnoncrysol.2004.06.031},
faupublication = {yes},
journal = {Journal of Non-Crystalline Solids},
pages = {54-60},
peerreviewed = {Yes},
title = {{Feasibility} study of hydrophilic and hydrophobic silica aerogels as drug delivery systems},
volume = {350},
year = {2004}
}
@article{faucris.120222124,
author = {Sadowski, Gabriele and Mokrushina, Liudmila and Arlt, Wolfgang},
doi = {10.1016/S0378-3812(97)00142-8},
faupublication = {yes},
journal = {Fluid Phase Equilibria},
peerreviewed = {Yes},
title = {{Finite} and infinite dilution activity coefficients in polycarbonate systems},
year = {1997}
}
@article{faucris.119636264,
author = {Teichmann, Daniel and Arlt, Wolfgang and Wasserscheid, Peter},
faupublication = {yes},
journal = {ATZ - Automobiltechnische Zeitschrift},
peerreviewed = {Yes},
title = {{Flüssige} {Wasserstoffträger} für ein {Nachhaltiges} {Energiesystem}},
year = {2012}
}
@article{faucris.117357504,
author = {Seiler, Matthias and Buggert, Matthias and Kavarnou, Asimina and Arlt, Wolfgang},
doi = {10.1021/je025644w},
faupublication = {yes},
journal = {Journal of Chemical and Engineering Data},
peerreviewed = {Yes},
title = {{From} {Alcohols} to {Hyperbranched} {Polymers}: {The} {Influence} of {Differently} {Branched} {Additives} on the {Vapor}−{Liquid} {Equilibria} of {Selected} {Azeotropic} {Systems}},
year = {2003}
}
@article{faucris.117180624,
author = {Beckmann, Wolfgang and Weber, Henriette and Bungert, Bernd and Arlt, Wolfgang},
doi = {10.1002/cite.330690316},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Herstellung} eines feinstkristallinen {Wirkstoffs} durch {Kristallisation} mit verdichteten {Gasen}},
year = {1997}
}
@article{faucris.117180404,
author = {Sadowski, Gabriele and Arlt, Wolfgang},
doi = {10.1016/0896-8446(95)90001-2},
faupublication = {yes},
journal = {Journal of Supercritical Fluids},
peerreviewed = {Yes},
title = {{High}-{Pressure} {Phase} {Equilibrium} in {Multicomponent} {Hydrocarbon} {Systems} {Using} the {MFLG} {Model}},
year = {1995}
}
@article{faucris.119087584,
author = {Schug, Sebastian and Arlt, Wolfgang},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Hochaufgelöste} computertomographische {Messungen} der {Fluiddynamik} in {Füllkörperschüttungen}},
year = {2017}
}
@article{faucris.118489624,
author = {Schug, Sebastian and Arlt, Wolfgang},
doi = {10.1002/cite.201600110},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Hochaufgelöste} computertomographische {Messungen} der {Fluiddynamik} in {Füllkörperschüttungen} {Measurement} of {Fluid} {Dynamics} in {Random} {Packings} {Using} {High}-{Resolution} {Computed} {Tomography}},
year = {2016}
}
@article{faucris.123192784,
author = {Köninger, Benedikt and Hensler, Timo and Schug, Sebastian and Arlt, Wolfgang and Wirth, Karl-Ernst},
doi = {10.1016/j.powtec.2017.01.057},
faupublication = {yes},
journal = {Powder Technology},
peerreviewed = {Yes},
title = {{Horizontal} secondary gas injection in fluidized beds: {Solid} concentration and velocity in multiphase jets},
year = {2017}
}
@article{faucris.121158004,
abstract = {Biomass holds great promise as a renewable source of hydrogen and thus as a zero-emission, carbon-neutral, and nearly inexhaustible energy resource. Thermodynamic analysis of biomass hydration is carried out to study the reaction properties considering a series of saccharides as a model. Equilibrium constants and composition are estimated in dependence on the saccharide chain length and temperature. The latter is also studied as a function of the reactant ratios and in the presence of nonreacting additives. Being highly endothermic, the reaction is thermodynamically favorable due to a high entropic contribution. Increase in the saccharide chain length affects the conversion only slightly, so the results for low-molecular-weight saccharides can be transferred to long-chain ones.},
author = {Lobanova, Olga and Müller, Karsten and Mokrushina, Liudmila and Arlt, Wolfgang},
doi = {10.1002/ceat.201100524},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
keywords = {Biomass;Equilibrium reaction thermodynamics;Hydrogen production;Saccharides},
pages = {735-742},
peerreviewed = {unknown},
title = {{Hydration} of {Saccharides}: {Estimation} of {Reaction} {Properties} and {Equilibrium} {Conversion}},
volume = {35},
year = {2012}
}
@article{faucris.115240224,
abstract = {We report on a series of flow velocity and efficiency profiles, which were measured across the cross section of preparative chromatographic columns packed with different stationary phase materials using computed tomography. It is shown that this non-invasive technique is very useful for visualization of the inner part of a packed column and measurement of the spatial resolved column packing properties. For evaluation of the influence of the particle shape on the velocity distribution and column performance, irregular and spherical reversed phases were studied in detail. The results showed a decreasing velocity towards the column wall most certainly due to a lower permeability. This effect was much less pronounced in the case of spherical particles, indicating a more homogenous packing structure. The influence of the column packing pressure, as a possible measure for improvement of the packing homogeneity was also studied. It was shown that under the same packing conditions spherical particles always lead to a more homogeneous packing. The overall results of this work contribute to the origin of the fact that spherical material is superior to irregular one from the hydrodynamic point of view. (C) 2009 Elsevier B.V. All rights reserved.},
author = {Lottes, Florian and Arlt, Wolfgang and Minceva, Mirjana and Stenby, Erling H.},
doi = {10.1016/j.chroma.2009.05.090},
faupublication = {yes},
journal = {Journal of Chromatography A},
keywords = {Liquid chromatography;Particle shape;Slurry packing;Efficiency;Computed tomography},
pages = {5687-5695},
peerreviewed = {Yes},
title = {{Hydrodynamic} impact of particle shape in slurry packed liquid chromatography columns},
volume = {1216},
year = {2009}
}
@article{faucris.107928304,
abstract = {The catalytic hydrogenation of the LOHC compound dibenzyltoluene (H0-DBT) was investigated by 1H NMR spectroscopy in order to elucidate the reaction pathway of its charging process with hydrogen in the context of future hydrogen storage applications. Five different reaction pathways during H0-DBT hydrogenation were considered including middle-ring preference (middle-side-side, MSS), side-middle-side order of hydrogenation (SMS), side-ring preference (SSM), simultaneous hydrogenation of all three rings without intermediate formation and statistical hydrogenation without any ring preference. Detailed analysis of the 1H NMR spectra of the H0-DBT hydrogenation over time revealed that the reaction proceeds with a very high preference for the SSM order at temperatures between 120 °C and 200 °C and 50 bar in the presence of a Ru/Al2O3-catalyst. HPLC analysis supported this interpretation by confirming an accumulation of H12-DBT species prior to full hydrogenation to H18-DBT with middle ring hydrogenation as the final step.},
author = {Do, Truong Giang and Preuster, Patrick and Aslam, Rabya and Bösmann, Andreas and Müller, Karsten and Arlt, Wolfgang and Wasserscheid, Peter},
doi = {10.1039/C5RE00080G},
faupublication = {yes},
journal = {Reaction Chemistry & Engineering},
peerreviewed = {Yes},
title = {{Hydrogenation} of the liquid organic hydrogen carrier compound dibenzyltoluene – reaction pathway determination by {1H} {NMR} spectroscopy},
year = {2016}
}
@book{faucris.123013924,
abstract = {The transformation of the energy system towards a power generation based on renewable energies necessitates the implementation of storage technologies. A number of short term storage options exist and are already in use. However, large scale, long term storage can only be performed on hydrogen based chemical storage systems. Nevertheless, the low storage densities of hydrogen constitute a severe constraint of these concepts. To overcome this limitation hydrogen can be liquified, compressed or chemically transformed. A major focus of recent research activities has been the chemical transformation. A conversion into a carbon based fuel by Fischer-Tropsch or related processes is one possibility for this. The existing infrastructure and the high storage densities for this kind of fuels make this option very interesting even though the overall efficiencies are quite poor. A crucial requirement for the production of these fuels is the availability of a concentrated carbon oxide stream. A second option is the reversible storage of hydrogen on an organic carrier compound. Therefore an unsaturated compound is hydrogenated and later on dehydrogenated again, when the energy is needed. Certain constraints should be considered during the selection of the carrier material. For example, liquid compounds are easier to handle than solid or gaseous substances. Since the melting points of the hydrogenated and dehydrogenated forms often significantly vary, a close look on the phase change behavior is necessary. A big advantage of organic hydrogen carriers compared to other forms of chemical conversions of hydrogen is the fact that the hydrogen is released again as hydrogen. Therefore, the efficient power generation systems like fuel cells that are available for hydrogen can be used. The overall efficiency thus can be significantly increased compared to the conversion into fuels such as Fischer-Tropsch-gasoline. © 2013 Nova Science Publishers, Inc. All rights reserved.},
author = {Arlt, Wolfgang and Müller, Karsten},
faupublication = {yes},
isbn = {9781626182318},
pages = {45-60},
peerreviewed = {Yes},
publisher = {Nova Science Publishers, Inc.},
title = {{Hydrogen} based energy storage},
url = {https://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84895298151&origin=inward},
year = {2013}
}
@article{faucris.115143644,
abstract = {Although N-ethylcarbazole is considered as a most promising potential liquid organic hydrogen carriers (LOHC) substance, a major drawback for stationary and particularly mobile applications is its high melting point of 343 K. Study of other possible N-alkylcarbazole-derivatives having lower melting points but keeping a high storage density is of practical importance. This contribution presents thermochemical properties (enthalpy of formation, enthalpy of vaporization, enthalpy of sublimation, and fusion enthalpy) for N-alkylcarbazoles (with alkyl = isopropyl, n-propyl, and n-butyl) derived from experiments in order to investigate the applicability of the carbazole derivatives as potential LOHCs. Additionally, high-level quantum chemical calculations were applied to determine molar enthalpies of formation of the gaseous carbazole derivatives and thus validated the experimental findings. Using a combination of the quantum-chemical calculations with vaporization enthalpy data measured in this work, the standard molar liquid phase enthalpies of formation were derived for alkylcarbazole derivatives. Results of this study were applied for thermodynamic analysis of the liquid-phase reversible hydrogenation/dehydrogenation processes with N-alkylcarbazoles.},
author = {Emel'Yanenko, Vladimir N. and Varfolomeev, Mikhail A. and Verevkin, Sergey P. and Stark, Katharina and Müller, Karsten and Müller, Michael and Bösmann, Andreas and Wasserscheid, Peter and Arlt, Wolfgang},
doi = {10.1021/acs.jpcc.5b10392},
faupublication = {yes},
journal = {Journal of Physical Chemistry C},
pages = {26381-26389},
peerreviewed = {Yes},
title = {{Hydrogen} {Storage}: {Thermochemical} {Studies} of {N}-{Alkylcarbazoles} and {Their} {Derivatives} as a {Potential} {Liquid} {Organic} {Hydrogen} {Carriers}},
volume = {119},
year = {2015}
}
@article{faucris.120089244,
abstract = {The aim of this work was to study the feasibility of hyperbranched polymers as drug carriers by employing different microparticle formation methods and the influence of loading methods on release kinetics. Commercially available hyperbranched polyester (Perstorp) and three polyesteramides (DSM) were loaded with the pharmaceutical acetaminophen. The gas antisolvent precipitation (GAS), the coacervation, and the particles from gas saturated solutions (PGSS) are among conventional processes that were used to prepare microparticles of drug-loaded hyperbranched polyesters for the first time. For preparing solid dispersions of drug-loaded hyperbranched polyesteramides the solvent method was applied. Infrared (IR) and differential thermal analysis (DTA) studies suggest that acetaminophen is partly dissolved in the polymer matrix and partly crystallized outside the polymer matrix. For acetaminophen-loaded polyesters prepared by the GAS method, the presence of free drugs is predominant when compared to microparticles prepared by the coacervation method. This event disappears for microparticles prepared by the PGSS method. Moreover, the release of drug from drug-loaded Bol-GAS is biphasic, where the initial burst (48%), indicating the presence of unincorporated drugs, is followed by a slow-release phase, suggesting the diffusion of drug through polymer matrices. The release of drugs from drug-loaded Bol-PGSS do not show this behavior since the drug is better dissolved or dispersed in polymer matrices. In the case of drug-loaded polyesteramides, coevaporates prepared from 3 hyperbranched structures (H1690, H1200, and H1500) using the solvent method result in different release kinetics. The hydrophobic characteristic of hyperbranched polyesteramide H1500 shows the biphasic release kinetic whereas the drug released from hydrophilic matrices H1690 and H1200 exhibits fast release comparable to that of pure drug. Copyright © Taylor & Francis Group, LLC.},
author = {Suttiruengwong, Supakij and Rolker, Jörn and Smirnova, Irina and Arlt, Wolfgang and Seiler, M. and et al.},
author_hint = {Suttiruengwong S., Rolker J., Smirnova I., Arlt W., Seiler M., Lüderitz L., Pérez De Diego Y., Jansens P.},
doi = {10.1080/10837450500463919},
faupublication = {yes},
journal = {Pharmaceutical Development and Technology},
keywords = {Coacervation; Drug earners; GAS; Hyperbranched polymers; In vitro release; PGSS; Solid dispersions},
pages = {55-70},
peerreviewed = {Yes},
support_note = {Author relations incomplete. You may find additional data in field 'author{\_}hint'},
title = {{Hyperbranched} polymers as drug carriers: {Microencapsulation} and release kinetics},
volume = {11},
year = {2006}
}
@article{faucris.119900484,
author = {Seiler, Matthias and Köhler, D. and Arlt, Wolfgang},
doi = {10.1016/S1383-5866(02)00197-1},
faupublication = {yes},
journal = {Separation and Purification Technology},
peerreviewed = {Yes},
title = {{Hyperbranched} polymers: new selective solvents for extractive distillation and solvent extraction},
year = {2003}
}
@article{faucris.123408824,
author = {Schug, Sebastian and Arlt, Wolfgang},
doi = {10.1002/ceat.201600278},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
peerreviewed = {Yes},
title = {{Imaging} of {Fluid} {Dynamics} in a {Structured} {Packing} {Using} {X}-ray {Computed} {Tomography}},
year = {2016}
}
@article{faucris.115162784,
abstract = {Oxidative dehydrogenation with carbon dioxide as an oxidant at low temperatures is strongly limited by its thermodynamic equilibrium. It is be shown that the equilibrium yield of the desired olefin can significantly be increased utilizing side reactions. This does not necessarily require the addition of another reactant, since this reactant can be formed in situ from the starting alkane. This effect allows for a decrease of the reaction temperature as well as the overall heat demand of the reaction. As a consequence, the exergy demand of the reaction system is reduced substantially.},
author = {Müller, Karsten and Baumgärtner, Andrea and Mokrushina, Liudmila and Arlt, Wolfgang},
doi = {10.1002/ceat.201300823},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
keywords = {Carbon dioxide;Olefin;Oxidative dehydrogenation;Thermodynamic equilibrium},
pages = {1261-1264},
peerreviewed = {Yes},
title = {{Increasing} the {Equilibrium} {Yield} of {Oxidative} {Dehydrogenation} with {CO2} by {Secondary} {Reactions}},
volume = {37},
year = {2014}
}
@article{faucris.123096204,
author = {Bungert, Bernd and Sadowski, Gabriele and Arlt, Wolfgang},
doi = {10.1002/cite.330690305},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Innovative} {Verfahren} mit komprimierten {Gasen}},
year = {1997}
}
@article{faucris.115146064,
abstract = {For the in-situ measurement of the mass transfer of a gas phase into a liquid film on a packing using X-ray computed tomography, a substance combination is needed. The thickness of the liquid film was measured using computed tomography, to ensure that enough pixels in the film are available for the mass transfer experiments. In order to decide if the substance combination is distinguishable in the CT images, the X-ray activity of gases and of dissolved gas in the liquid phase was investigated. For the determination of the maximum solubility the quantum chemical model COSMO-RS was used to simulate the vapor-liquid equilibria.},
author = {Schug, Sebastian and Arlt, Wolfgang},
doi = {10.1002/cite.201400169},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
keywords = {Computed tomography;In-situ measurement;Mass transfer;Test system},
pages = {656-659},
peerreviewed = {Yes},
title = {{In}-situ {Mass} {Transfer} {Measurements} {Using} {Computed} {Tomography}: {Selection} of the {Test} {System}},
volume = {87},
year = {2015}
}
@misc{faucris.113100724,
abstract = {An installation for reservoirs of energy comprises a H prodn. unit for producing H, a H storage device for reservoirs the carrier loaded by H with a load unit for loading a carrier with the H produced in the H prodn. unit and with an unloading unit for the discharge of the H of, a heat prodn. unit for producing heat and a heat storage unit for reservoirs by the heat prodn. unit produced heat, whereby the heat storage unit is connected with the unloading unit for making available heat. [on SciFinder(R)]},
author = {Bösmann, Andreas and Preuster, Patrick and Schmidt, Matthias and Teichmann, Daniel and Wasserscheid, Peter and Arlt, Wolfgang},
faupublication = {yes},
keywords = {installation reservoir hydrogen energy},
peerreviewed = {automatic},
title = {{Installation} and process for reservoirs of hydrogen energy.},
year = {2015}
}
@article{faucris.227316122,
abstract = {No abstract.},
author = {Arlt, Wolfgang},
doi = {10.1002/ceat.201970096},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
note = {CRIS-Team WoS Importer:2019-10-01},
pages = {1852-1852},
peerreviewed = {unknown},
title = {{Integration} of {Sustainable} {Energy}: {ISEnEC} 2018},
volume = {42},
year = {2019}
}
@inproceedings{faucris.122623204,
author = {Schug, Sebastian and Kohler, Tobias and Arlt, Wolfgang},
booktitle = {Separations Division 2014 - Core Programming Area at the 2014 AIChE Annual Meeting},
faupublication = {yes},
isbn = {9781510812727},
peerreviewed = {Yes},
publisher = {AIChE},
title = {{Investigation} of fluid dynamic parameters in packed distillation columns using {X}-ray computed tomography},
url = {http://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84954041608&origin=inward},
volume = {2},
year = {2014}
}
@article{faucris.111832864,
abstract = {During the past years a growing number of scientists and engineers have investigated ionic liquids because of their outstanding advantages in several areas. Their unique physical properties and specific chemical behavior make these liquids very interesting for new and innovative applications. For commercial implementation ionic liquids have to meet a number of requirements. For use in high pressure applications they should have a low compressibility, an adjustable gas solubility and a superior lubricating ability. A screening of the relevant parameters was conducted in several experimental setups built for these purposes. Most of these parameters were also examined under long term conditions with regard to real process conditions and safety guarantee in possible high pressure applications. A major application is the compression of oxygen using ionic liquid as operating fluid. Besides, there are many more applications where the superior chemical and physical properties of ionic liquids are of high potential benefit. © 2007 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.},
author = {Predel, Tim and Schlücker, Eberhard and Wasserscheid, Peter and Arlt, Wolfgang and et al.},
author_hint = {Predel Tim, Schlücker Eberhard, Wasserscheid Peter, Gerhard D., Arlt Wolfgang},
doi = {10.1002/ceat.200700276},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
keywords = {Chemical stability; Compressibility; Corrosion; Ionic liquids},
note = {UnivIS-Import:2015-03-09:Pub.2007.tech.ITC.prozma.ionicl{\_}0},
pages = {1475-1480},
peerreviewed = {Yes},
support_note = {Author relations incomplete. You may find additional data in field 'author{\_}hint'},
title = {{Ionic} {Liquids} as {Operating} {Fluids} in {High} {Pressure} {Applications}},
year = {2007}
}
@article{faucris.124200824,
abstract = {The present study centres on room-temperature ionic liquids (ILs) as entrainers in extractive distillation of chloromethane/isobutane mixtures. The binary system, chloromethane/isobutene, is an azeotropic system. In this study, IL entrainers are shown to be able to break the azeotrope and, thus, assure the separation in the whole range of chloromethane/isobutane ratios. ILs formed from different cations and anions are considered and their influence on chloromethane/isobutane separation is explored. Among the ILs studied, those containing the trifluoromethanesulfonate ([CF(3)SO(3)](-)) or tricyanomethanide ([C(CN)(3)](-)) anion are demonstrated to exhibit an enhanced potential for chloromethane/isobutane separation compared to the corresponding ILs based on the bis(trifluoromethylsulfonyl)imide ([Tf(2)N](-)) anion. Moreover, the ILs enclosing these anions are cheaper than those with the [Tf(2)N](-) anion. Thus, the separation ability, solubility of chloromethane/isobutane mixtures, and costs of IL entrainers can be adjusted by the right choice of cations and anions.},
author = {Mokrushin, Vladimir and Mokrushina, Liudmila and Arlt, Wolfgang and Assenbaum, Daniel and Wasserscheid, Peter and Petri, Martin and Wewers, Wolfgang},
doi = {10.1002/ceat.200900501},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
keywords = {Chloromethane-isobutane mixture;COSMO-RS;Express screening experiments;Extractive distillation;Headspace chromatography;Ionic liquids},
pages = {993-997},
peerreviewed = {Yes},
title = {{Ionic} {Liquids} for {Chloromethane}/{Isobutane} {Distillative} {Separation}: {Express} {Screening}},
volume = {33},
year = {2010}
}
@article{faucris.124081364,
abstract = {This paper presents an extensive study on the feasibility of ionic liquids (IL) for the extractive distillation of propene-propane mixtures. A new experimental method for express screening of non-volatile entrainers was elaborated. A series of ILs and their mixtures were screened at ambient temperature and low pressures. The screening results show that every tested IL turns a low boiler propene into a high boiler and the alkene-to-alkane separation factor can be as low as 0.28. The solubility and separation efficiency can be tuned by adjusting the chemical structures of the ions forming the IL. It was found that shortening of the alkyl substituents of the imidazolium ions leads to a decrease in capacity and to an increase in the separation factor. Interestingly, ILs containing nitrile functionalities in either the cation or the anion showed, in our experiments, enhanced separation ability combined with still good capacities. From our thermodynamic measurements, [EMIM] [ [B(CN)(4)] was proved to be the most promising candidate. Binary mixtures of ILs were also tested and resulted in separation factors and capacities between the values for the individual ILs. For the most promising candidates, also autoclave measurements at elevated temperatures and pressures were carried out. These experiments indicate that the separation ability decreases with growing temperature and loading. In general, our study definitely proves the high potential of ILs to act as entrainers in the extractive distillation of propene-propane mixtures or for the separation of any other low-boiling alkene-alkane mixture.},
author = {Mokrushin, Vladimir and Assenbaum, Daniel and Paape, Natalia and Gerhard, Dirk and Mokrushina, Liudmila and Wasserscheid, Peter and Arlt, Wolfgang and Kistenmacher, Hans and Neuendonf, Stephanie and Göke, Volker},
doi = {10.1002/ceat.200900343},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
keywords = {Express screening experiments;Extractive distillation;Headspace chromatography;Ionic liquids;Propene - propane mixtures},
month = {Jan},
pages = {63-73},
peerreviewed = {Yes},
title = {{Ionic} {Liquids} for {Propene}-{Propane} {Separation}},
volume = {33},
year = {2010}
}
@article{faucris.115485304,
author = {Arlt, Wolfgang and et al.},
author_hint = {Arlt W., Beste Y., Eggersmann M., Jork C.},
doi = {10.1002/cite.200590383},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
support_note = {Author relations incomplete. You may find additional data in field 'author{\_}hint'},
title = {{Ionic} liquids in process engineering},
volume = {77},
year = {2005}
}
@article{faucris.117353104,
author = {Ching, C.B. and Arlt, Wolfgang and Lisso, M. and Wozny, G.},
doi = {10.1021/ie990219q},
faupublication = {yes},
journal = {Industrial & Engineering Chemistry Research},
peerreviewed = {Yes},
title = {{Kinetic} and {Equilibrium} {Study} of the {Enantioseparation} of {Fenoprofen} in a {Batch} {Setup}},
year = {2000}
}
@article{faucris.117068424,
author = {Arlt, Wolfgang and Onken, Ulfert},
doi = {10.1080/00986448208911070},
faupublication = {yes},
journal = {Chemical Engineering Communications},
peerreviewed = {Yes},
title = {{LIQUID}-{LIQUID} {EQUILIBRIA} {OF} {ORGANIC} {COMPOUNDS}: {MEASUREMENT}, {CORRELATION} {AND} {PREDICTION}},
year = {1982}
}
@article{faucris.115291704,
abstract = {A system based on the catalytic hydrogenation/dehydrogenation reactions of N-ethylcarbazole is one of the most promising as the new class of the liquid organic hydrogen carrier (LOHC) compounds. Enthalpy of formation of the liquid dodecahydro-N-ethylcarbazole (fully hydrogenated N-ethylcarbazole) was measured using combustion calorimetry. Vaporization enthalpy for this compound was derived from vapor pressure-temperature dependence measured by transpiration. The enthalpy of formation of the gaseous dodecahydro-N-ethylcarbazole was derived and validated with the high-level quantum chemical calculation. Vapor pressures of the liquid N-ethylcarbazole (0.0008 bar) and dodecahydro-N- ethylcarbazole (0.01 bar) at a practical and relevant temperature (400 K) were assessed from the new experimental data. It has turned out that these vapor pressures were low enough to fulfill the basic requirement for an LOHC. © 2012 American Chemical Society.},
author = {Verevkin, Sergey P. and Emel'Yanenko, Vladimir N. and Heintz, Andreas and Stark, Katharina and Arlt, Wolfgang},
doi = {10.1021/ie301898m},
faupublication = {yes},
journal = {Industrial & Engineering Chemistry Research},
pages = {12150-12153},
peerreviewed = {Yes},
title = {{Liquid} organic hydrogen carriers: {An} upcoming alternative to conventional technologies. {Thermochemical} studies.},
volume = {51},
year = {2012}
}
@article{faucris.113345804,
abstract = {This contribution proposes the usage of Liquid Organic Hydrogen Carriers (LOHC) for the storage and subsequently the transport of renewable energy. It is expected that a significant share of future energy consumption will be satisfied with the import of energy coming from regions with high potential for renewable generation, e.g. the import of solar power from Northern Africa to Europe. In this context the transport of energy in form of chemical carriers is proposed supplementary to electrical transmission. Because of their high storage density and good manageability under ambient conditions Diesel-like LOHC substances could be transported within the infrastructure that already exists for the handling of liquid fossil fuels (e.g. oil tankers, tank trucks, pipelines, etc.). A detailed assessment of energy consumption as well as of transport costs is conducted that confirms the feasibility of the concept. Copyright (c) 2012, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.},
author = {Teichmann, Daniel and Arlt, Wolfgang and Wasserscheid, Peter},
doi = {10.1016/j.ijhydene.2012.08.066},
faupublication = {yes},
journal = {International Journal of Hydrogen Energy},
keywords = {Hydrogen storage;renewable energy;Energy transport;LOHC;Liquid hydrogen carriers;Feasibility study},
pages = {18118-18132},
peerreviewed = {Yes},
title = {{Liquid} {Organic} {Hydrogen} {Carriers} as an efficient vector for the transport and storage of renewable energy},
volume = {37},
year = {2012}
}
@article{faucris.115150904,
abstract = {The heat transfer oils dibenzyltoluene and benzyltoluene are promising materials as a new class of liquid organic hydrogen carrier compounds (LOHC). Thermophysical properties (heat capacity, density, viscosity, and surface tension) of the commercially available thermofluids Marlothem LH (benzyltoluene) and Marlotherm SH (dibenzyltoluene) and their completely hydrogenated derivatives were measured. Thermochemical properties (enthalpies of combustion and enthalpies of vaporization) were derived from experiments. Gas-phase molar enthalpies of formation were derived and validated with group-additivity and high-level quantum chemical calculations. Enthalpies of the hydrogenation/dehydrogenation reactions of the LOHC pairs under study were derived.},
author = {Müller, Karsten and Stark, Katharina and Emel'Yanenko, Vladimir N. and Varfolomeev, Mikhail A. and Zaitsau, Dzmitry H. and Shoifet, Evgeni and Schick, Christoph and Verevkin, Sergey P. and Arlt, Wolfgang},
doi = {10.1021/acs.iecr.5b01840},
faupublication = {yes},
journal = {Industrial & Engineering Chemistry Research},
pages = {7967-7976},
peerreviewed = {Yes},
title = {{Liquid} {Organic} {Hydrogen} {Carriers}: {Thermophysical} and {Thermochemical} {Studies} of {Benzyl}- and {Dibenzyl}-toluene {Derivatives}},
volume = {54},
year = {2015}
}
@article{faucris.115152004,
abstract = {Carbazole derivatives are promising liquid organic hydrogen carrier (LOHCs). They can take up and release hydrogen in catalytic hydrogenation/dehydrogenation reactions. The thermophysical properties (heat capacity, density, viscosity, surface tension, and refractive index) of carbazole and N-ethylcarbazole, as well as those of their hydrogenated derivatives, were measured. Furthermore, thermochemical properties (enthalpy of vaporization, sublimation, and fusion) were derived from experiments. Molar enthalpies of formation of the gaseous carbazole derivatives were calculated and validated with high-level quantum chemical calculations. Molar enthalpies of formation data in the liquid phase were derived by combining the high-level quantum chemistry values of the gas-phase enthalpies of formation with experimentally determined enthalpies of vaporization. Thermodynamic analysis of the hydrogenation/dehydrogenation reactions of the carbazole derivatives was performed. This analysis, among others, revealed a rather weak dependence of thermodynamic hydrogen release characteristics on the alkyl chain length. The thermophysical properties of the derivatives show a strong dependence on the degree of hydrogenation. Therefore, the state of hydrogenation should always be considered when dealing with substance properties of LOHCs. Using the data presented in this work, a more reliable process modeling is possible.},
author = {Stark, Katharina and Emel'Yanenko, Vladimir N. and Zhabina, Aleksandra A. and Varfolomeev, Mikhail A. and Verevkin, Sergey P. and Müller, Karsten and Arlt, Wolfgang},
doi = {10.1021/acs.iecr.5b01841},
faupublication = {yes},
journal = {Industrial & Engineering Chemistry Research},
pages = {7953-7966},
peerreviewed = {Yes},
title = {{Liquid} {Organic} {Hydrogen} {Carriers}: {Thermophysical} and {Thermochemical} {Studies} of {Carbazole} {Partly} and {Fully} {Hydrogenated} {Derivatives}},
volume = {54},
year = {2015}
}
@article{faucris.108896744,
author = {Lee, Bo Hyun and Freitag, Detlef and Arlt, Wolfgang},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
pages = {1148},
peerreviewed = {Yes},
title = {{Manufacture} of hollow fibers by electrospinning in supercritical carbon dioxide.},
volume = {81},
year = {2009}
}
@article{faucris.109964844,
author = {Obermeier, Jonas and Sakellariou, Kyriaki G. and Tsongidis, Nikolaos I. and Baciu, Diana and Charalambopoulou, Georgia and Steriotis, Theodore and Müller, Karsten and Karagiannakis, George and Konstandopoulos, Athanasios G. and Stubos, Athanasios and Arlt, Wolfgang},
doi = {10.1016/j.solener.2017.04.058},
faupublication = {yes},
journal = {Solar Energy},
peerreviewed = {Yes},
title = {{Material} development and assessment of an energy storage concept based on the {CaO}-looping process},
year = {2017}
}
@article{faucris.119894544,
author = {Wiesmet, Veronika and Weidner, Eckhard and Behme, Stefan and Sadowski, Gabriele and Arlt, Wolfgang},
doi = {10.1016/S0896-8446(99)00043-1},
faupublication = {yes},
journal = {Journal of Supercritical Fluids},
peerreviewed = {Yes},
title = {{Measurement} and modelling of high-pressure phase equilibria in the systems polyethyleneglycol ({PEG})–propane, {PEG}–nitrogen and {PEG}–carbon dioxide},
year = {2000}
}
@article{faucris.115153764,
abstract = {Liquid organic hydrogen carriers (LOHC) are potential compounds that can facilitate chemical energy storage and hydrogen logistics using reversible hydrogenation. For the process development, the physical solubility of hydrogen in potential LOHCs is required. In this work, solubility of hydrogen in the potential LOHC systems toluene/methylcyclohexane, N-ethylcarbazole/perhydro-N-ethylcarbazole, and dibenzyltoluene/perhydrodibenzyltoluene was measured using the static isochoric saturation method. The data were measured at low pressures up to 10 bar within the temperature range of (293 to 373) K. Hydrogen solubility in hydrogenated forms of the LOHCs was found to be higher compared to the dehydrogenated forms. Solubility in all substances increased with increasing temperature within the whole temperature range under consideration. The temperature dependency of the Henry coefficient of hydrogen in the solvents was correlated using the Benson and Krause correlation.},
author = {Aslam, Rabya and Müller, Karsten and Müller, Michael and Koch, Marcus and Wasserscheid, Peter and Arlt, Wolfgang},
doi = {10.1021/acs.jced.5b00789},
faupublication = {yes},
journal = {Journal of Chemical and Engineering Data},
month = {Jan},
pages = {643-649},
peerreviewed = {Yes},
title = {{Measurement} of {Hydrogen} {Solubility} in {Potential} {Liquid} {Organic} {Hydrogen} {Carriers}},
volume = {61},
year = {2016}
}
@article{faucris.122655544,
author = {Fischer, Armin and Müller, Karsten and Arlt, Wolfgang},
doi = {10.1002/ceat.201600084},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
peerreviewed = {Yes},
title = {{Measurement} of {Micro} {Kinetics} of {Hydrogenation} in {Liquid} {Phase} using {Raman} {Spectroscopy}},
year = {2017}
}
@article{faucris.115577044,
author = {Irfan, Muhammad and Seiler, Matthias and Arlt, Wolfgang and Smirnova, Irina},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
pages = {1119-1120},
peerreviewed = {Yes},
title = {{Melt} dispersion method: development of processes and formulations.},
volume = {81},
year = {2009}
}
@article{faucris.117474984,
author = {Stark, Katharina and Keil, Philipp and Schug, Sebastian and Müller, Karsten and Wasserscheid, Peter and Arlt, Wolfgang},
doi = {10.1021/acs.jced.5b00679},
faupublication = {yes},
journal = {Journal of Chemical and Engineering Data},
peerreviewed = {Yes},
title = {{Melting} {Points} of {Potential} {Liquid} {Organic} {Hydrogen} {Carrier} {Systems} {Consisting} of {N}-{Alkylcarbazoles}},
year = {2016}
}
@article{faucris.115175544,
abstract = {Inspired by promising literature data on the production of methacrylic add (MAA) via heterogeneous selective gas-phase oxidation of propene by CO2, we performed a comprehensive study including in situ FTIR spectroscopy, catalytic tests as well as thermodynamic calculations using the same type of catalysts to reproduce these very surprising data and to further improve this process. Exemplarily, pure and supported Keggin type polyoxometalates (POM) Ni-3[PW12O40](2) and Ni-3[PMo12O40](2) were treated in different feeds containing CO2, propene/He, and propene/CO2/He. It was found that CO2 is only chemisorbed as surface carbonates but does not act as oxidizing agent. Instead, this role is played by lattice oxygen from the POM catalysts which, however, does not lead to the desired MAA target product but only to various unselective oxygenates including CO. Thermodynamic calculations clearly showed that reaction of COx with propene to MAA is not possible. Thus, this study clearly rebuts previous literature data. (C) 2014 Elsevier B.V. All rights reserved.},
author = {Rajagopalan, Prasanna and Kühnle, Maximilian and Polyakov, Mykola and Müller, Karsten and Arlt, Wolfgang and Kruse, Daniela and Brückner, Angelika and Bentrup, Ursula},
doi = {10.1016/j.catcom.2014.01.019},
faupublication = {yes},
journal = {Catalysis Communications},
keywords = {POM catalysts;Propene;In situ FTIR spectroscopy;CO2},
pages = {19-23},
peerreviewed = {Yes},
title = {{Methacrylic} acid by carboxylation of propene with {CO2} over {POM} catalysts - {Reality} or wishful thinking?},
volume = {48},
year = {2014}
}
@inproceedings{faucris.123851684,
author = {Sponsel-Lorenz, Elke and Mokrushina, Liudmila and Arlt, Wolfgang},
booktitle = {AIChE Annu. Meet., Conf. Proc.},
faupublication = {yes},
pages = {Sponsel/1-Sponsel/2, 2 pp.},
peerreviewed = {Yes},
publisher = {American Institute of Chemical Engineers},
title = {{Micelle}/water partition coefficients using {COSMO}-{RS}: conformational study.},
year = {2012}
}
@inproceedings{faucris.115243524,
abstract = {One of the conventional processes used for the recovery of citric acid from its fermentation broth is environmentally harmful and cost intensive. In this work an innovative benign process, which comprises simulated moving bed (SMB) technology and use of a tailor-made tertiary poly(4-vinylpyridine) (PVP) resin as a stationary phase is proposed. This paper focuses on a model-based design of the operation conditions for an existing pilot-scale SMB plant. The SMB unit is modeled on the basis of experimentally determined hydrodynamics, thermodynamics and mass transfer characteristics in a single chromatographic column. Three mathematical models are applied and validated for the prediction of the experimentally attained breakthrough and elution profiles of citric acid and the main impurity component (glucose). The transport dispersive model was selected for the SMB simulation and design studies, since it gives a satisfactory prediction of the elution profiles within acceptable computational time. The equivalent true moving bed (TMB) and SMB models give a good prediction of the experimentally attained SMB separation performances, obtained with a real clarified and concentrated fermentation broth as a feed mixture. The SMB separation requirements are set to at least 99.8% citric acid purity and 90% citric acid recovery in the extract stream. The complete regeneration in sections 1 and 4 is unnecessary. Therefore the net flow rates in all four SMB sections have been considered in the unit design. The influences of the operating conditions (the flow rate in each section, switching time and unit configuration) on the SMB performances were investigated systematically. The resulting SMB design provides 99.8% citric acid purity and 97.2% citric acid recovery in the extract. In addition the citric acid concentration in the extract is a half of its concentration in the pretreated fermentation broth (feed). (C) 2009 Elsevier B.V. All rights reserved.},
author = {Wu, Jinglan and Peng, Q. J. and Arlt, Wolfgang and Minceva, Mirjana},
doi = {10.1016/j.chroma.2009.03.028},
faupublication = {yes},
keywords = {Citric acid;Fermentation broth;Simulated moving bed;Design;Modeling;Simulation},
pages = {8793-8805},
peerreviewed = {Yes},
publisher = {Elsevier},
title = {{Model}-based design of a pilot-scale simulated moving bed for purification of citric acid from fermentation broth},
volume = {1216},
year = {2009}
}
@article{faucris.120527264,
abstract = {A survey covers ways to achieve carbon dioxide-lean fossil fuel power plants. The need for carbon dioxide-lean power plants is urgent with all fossil fuel power plants to operate carbon dioxide-lean by 2020. The flue gas scrubbing unit added to existing facilities has the advantage that it is mastered with the disadvantage that there is no goal-optimized scrubbing agent available and overall efficiency is low. The complete description of the energy flow in a brown coal power plant has been made for the first time using the AspenPlus® program. The energies required (steam and electricity) can be taken directly from different turbine stages or from the generator. This symbiosis of energy and process engineering opens a new optimization potential. How this is applied is given in two examples. In the 100% case mono-ethanolamine is considered. Because of the strong bonding of carbon dioxide to the amine, energy-intensive regeneration is needed. The authors have recently developed a hyper-branched polymer class as a potential flue gas scrubbing agent. These can be made to measure, a possibility that already exists for ionic liquids. The expense as a function of the degree of separation is considered.},
author = {Rolker, J. and Botero, Cristina and Arlt, Wolfgang},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Modeling} carbon dioxide absorption from flue gases: {Symbiosis} of the energy and process engineering},
url = {https://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=40049093449&origin=inward},
volume = {79},
year = {2007}
}
@inproceedings{faucris.115488164,
abstract = {Modeling of electrolyte systems is important for many industrial processes, e.g., sour gas treatment and extractive distillation. The molecular simulation results of mixtures of charged Lennard-Jones fluids and dipolar Lennard-Jones (Stockmayer) fluids are presented. Monte Carlo simulations were performed in the NPT ensemble with long-range interactions treated with the Ewald summation. The non-primitive mean spherical approximation together with the PC-SAFT EOS to (aqueous) electrolyte systems was applied. Calculated mean ionic activity coefficients, osmotic coefficients, and densities of aqueous electrolyte solutions over the entire solubility range are presented. To fit the experimental data of the mean ionic activity coefficients and the osmotic coefficients at 25°C, one parameter needs to be adjusted. This is an abstract of a paper presented at the 2006 AIChE National Meeting (San Francisco, CA 11/12-17/2006).},
author = {Herzog, Stefanie and Arlt, Wolfgang and Gross, Joachim},
booktitle = {2006 AIChE Annual Meeting},
faupublication = {yes},
isbn = {9780816910120},
peerreviewed = {Yes},
title = {{Modeling} of electrolyte systems with an equation of state and comparison with molecular simulations},
url = {https://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=58049119252&origin=inward},
venue = {San Francisco, CA},
year = {2006}
}
@inproceedings{faucris.123222924,
author = {Arlt, Wolfgang and Buchele, Alexander},
booktitle = {2008 AIChE Annual Meeting, AIChE 100},
faupublication = {yes},
isbn = {9780816910502},
peerreviewed = {Yes},
title = {{Modeling} of reaction with immobilized ionic liquids},
url = {https://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=79952298845&origin=inward},
venue = {Philadelphia, PA},
year = {2008}
}
@article{faucris.109804464,
author = {Seiler, Matthias and Gross, Joachim and Bungert, Bernd and Sadowski, Gabriele and Arlt, Wolfgang},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
peerreviewed = {Yes},
title = {{Modeling} of {Solid}/{Fluid} {Phase} {Equilibria} in {Multicomponent} {Systems} at {High} {Pressure}},
year = {2001}
}
@article{faucris.115490364,
author = {Schneider, Thomas and Böhme, Andreas and Arlt, Wolfgang},
doi = {10.1002/cite.200403437},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
pages = {1691-1695+1617},
peerreviewed = {Yes},
title = {{Modeling} of temperature fields in electrochromatography to predict its applicability on a semi-industrial scale},
volume = {76},
year = {2004}
}
@inproceedings{faucris.115293684,
abstract = {A systematic development of new processes, avoiding the development of energetically inefficient processes, requires knowledge of the thermodynamic data of the biomass used. In light of this, a study was carried out to determine the formation and reaction properties of such biomass compounds, as well as other thermodynamic properties. A group of model reactions, e.g., conversion of saccharides or lignin to biofuels like methane or hydrogen, were evaluated. The free energy of formation was a linear function of the degree of polymerization. The equilibrium yields and conversions were estimated by balancing enthalpy and Gibbs' energy of the respective reactions. The production of gaseous products, e.g., hydrogen or methane from saccharides at low temperatures, was thermodynamically possible. The equilibrium yield could be further increased by lowering the system pressure. This allows the gaseous products to leave the system and shift the equilibrium position towards product formation. The addition of inert gas can also be used to increase the formation of hydrogen. This is an abstract of a paper presented at the 2011 AIChE Annual Meeting (Minneapolis, MN 10/16-21/2011).},
author = {Müller, Karsten and Lobanova, Olga and Mokrushina, Liudmila and Arlt, Wolfgang},
booktitle = {2011 AIChE Annual Meeting, 11AIChE},
faupublication = {yes},
isbn = {9780816910700},
peerreviewed = {Yes},
title = {{Modeling} of the formation and reaction properties of biomass},
url = {https://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84856708468&origin=inward},
venue = {Minneapolis, MN},
year = {2011}
}
@inproceedings{faucris.115295664,
abstract = {Supported ionic liquid phase catalyst systems were applied in continuous gas phase reactions using homogeneous catalysts in fixed bed reactors. The homogeneous transition metal complex was immobilized in the thin film of an ionic liquid (IL) dispersed on the high area surface of an inorganic support, thus bridging the gap between homogeneous and heterogeneous catalysis. Such catalyst systems allowed for a very efficient use of IL because of relatively short diffusion distances of reactants compared to conventional homogenous two-phase organic-ionic liquid catalyst systems. Propylene hydrogenation was investigated. The phase equilibria for all compounds were set up to model the reaction directly in the ionic liquid phase. A tailor-made IL should be used on the support. To tailor this property, the a-priori predictive tool COSMO-RS for solubility calculations was applied. This is an abstract of a paper presented at the 7th European Congress of Chemical Engineering-7 and 19th International Congress of Chemical and Process Engineering CHISA (Prague, Czech Republic 8/28/2010-9/1/2010).},
author = {Buchele, Alexander and Arlt, Wolfgang},
booktitle = {19th International Congress of Chemical and Process Engineering, CHISA 2010 and 7th European Congress of Chemical Engineering, ECCE-7},
faupublication = {yes},
peerreviewed = {Yes},
title = {{Modeling} of the supported ionic liquid phase ({SILP}) catalysis: {Improved} understanding for reaction optimisation},
url = {https://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84864294530&origin=inward},
venue = {Prague},
year = {2010}
}
@article{faucris.117280724,
author = {Tork, Thomas and Sadowski, Gabriele and Arlt, Wolfgang and Haan, André de and Krooshof, Gerard},
doi = {10.1016/S0378-3812(99)00219-8},
faupublication = {yes},
journal = {Fluid Phase Equilibria},
peerreviewed = {Yes},
title = {{Modelling} of high-pressure phase equilibria using the {Sako}–{Wu}–{Prausnitz} equation of state: {I}. {Pure}-components and heavy n-alkane solutions},
year = {1999}
}
@article{faucris.115494324,
author = {Arlt, Wolfgang and et al.},
author_hint = {Laiblin T., Arlt W., Kaiser R., Kirsch R.},
doi = {10.1002/cite.200600144},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
pages = {1213-1216},
peerreviewed = {Yes},
support_note = {Author relations incomplete. You may find additional data in field 'author{\_}hint'},
title = {{Möglichkeit} der {Messung} von {Geschwindigkeiten} in {Einer} {Präparativen} {HPLC}-säule mit {Hilfe} der {Magnet}-resonanz-tomographie},
volume = {79},
year = {2007}
}
@book{faucris.118921484,
abstract = {This chapter introduces the choice and usage of new separating agents (i.e. entrainers) in distillation processes. Such substances are preferentially used for the separation of narrow boiling and azeotropic mixtures using extractive distillation. The chapter focuses on ionic liquids and hyperbranched polymers. Because of their customizable properties, these two solvent classes can be used as entrainers for various separation problems. The regeneration of the entrainer is easy because the vapor pressures of both solvent classes are infinitely small. The thermodynamic choice of the best-suited entrainer can be done by solubility experiments (e.g. with headspace gas chromatography), by using a structure-interpolating method such as UNIFAC, or by an a priori predictive method (e.g. the Conductor-like Screening Model for Real Solvents) to calculate the solubility.},
author = {Arlt, Wolfgang},
doi = {10.1016/B978-0-12-386876-3.00010-7},
faupublication = {yes},
isbn = {9780123868763},
keywords = {Conductor-like screening model for real solvents (COSMO-RS); Entrainer; Extractive distillation; Head space gas chromatography (HS-GC); Hyperbranched polymer (HyPol); Ionic liquid (IL)},
pages = {403-428},
peerreviewed = {Yes},
publisher = {Elsevier Inc.},
title = {{New} {Separating} {Agents} for {Distillation}},
year = {2014}
}
@article{faucris.121742324,
author = {Lisso, M. and Wozny, G. and Arlt, Wolfgang and Beste, York A.},
doi = {10.1002/1522-2640(200005)72:5<494::AID-CITE494>3.0.CO;2-W},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Optimierung} der {HETP} präparativer {HPLC}-{Säulen}},
year = {2000}
}
@article{faucris.123418284,
author = {Arlt, Wolfgang and Wu, Jinglan and Minceva, Mirjana and Peng, Q. J.},
doi = {10.1002/cite.200950192},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
pages = {1074},
peerreviewed = {Yes},
title = {{Optimization} of a pilot {SMB} unit for manufacture of citric acid.},
volume = {81},
year = {2009}
}
@article{faucris.117353544,
author = {Beste, York A. and Lisso, M. and Wozny, G. and Arlt, Wolfgang},
doi = {10.1016/S0021-9673(99)01136-X},
faupublication = {yes},
journal = {Journal of Chromatography A},
peerreviewed = {Yes},
title = {{Optimization} of simulated moving bed plants with low efficient stationary phases: separation of fructose and glucose},
year = {2000}
}
@article{faucris.115585624,
author = {Arlt, Wolfgang and Buchele, Alexander},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
pages = {1262},
peerreviewed = {Yes},
title = {{P1}.16. {Modeling} of reactions in immobilized ionic liquids ({SILP}).},
volume = {80},
year = {2008}
}
@article{faucris.115454944,
abstract = {The micelle-water partition coefficients of reactants, products, and catalyst ligands are predicted using UNIFAC-IF and COSMO-RS. It is demonstrated that both models represent a reasonable tool for preliminary screening of the micellar systems for a specific continuous reaction process supported by micellar enhanced ultrafiltration (MEUF). The model reaction is the hydrogenation of itaconic acid and its derivatives (dialkyl esters) in the presence of a rhodium-based catalyst. The effect of the size and nature of the surfactant head group and tail is explored for nonionic and ionic surfactants. The high partition coefficients of the catalyst ligands indicate that no catalyst leakage is expected in MEUF. Based on the concentration dependence of the calculated partition coefficients, the solubilization capacity of micelles is estimated.},
author = {Wille, Susanne and Mokrushina, Liudmila and Schwarze, Michael and Smirnova, Irina and Schomäcker, Reinhard and Arlt, Wolfgang},
doi = {10.1002/ceat.201100359},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
keywords = {Hydrogenation;Itaconic acid;Itaconic acid dialkyl esters;Micelle-water partition coefficients;Micellar enhanced ultrafiltration},
pages = {1899-1908},
peerreviewed = {Yes},
title = {{Partition} {Coefficients} for {Continuous} {Micellar} {Reaction} {Processes}},
volume = {34},
year = {2011}
}
@article{faucris.123092684,
author = {Hiller, Steffi and Arlt, Wolfgang and Mokrushina, Liudmila},
doi = {10.1021/ma034367a},
faupublication = {yes},
journal = {Macromolecules},
peerreviewed = {Yes},
title = {{Partition} {Coefficients} in {Latex} {Systems}: {Experimental} {Determination} and {Modeling}},
year = {2003}
}
@article{faucris.120503504,
abstract = {The partitioning of alkyl parabens and ibuprofen in aqueous solutions of nonionic and ionic surfactants is studied experimentally and via a priori predictions using the COSMO-RS model. The effects of organic (Bu(4)NBr) and inorganic (NaCl) electrolytes are examined. Addition of NaCl results in a slight increase in the partition coefficients of parabens in solutions of octylphenolpoly(ethyleneglycolether) and a more pronounced increase in the sodium dodecyl sulfate (SDS) system. The partition coefficients of ibuprofen increase on addition of NaCl to aqueous solutions of SDS and decrease if Bu(4)NBr is added to dodecyl trimethyl ammonium bromide (DTAB) solutions. Good agreement between experimental and calculated data shows a high potential of COSMO-RS in the prediction of micelle/water partition coefficients in the presence of electrolytes and makes it a valuable tool in drug and drug-carrier design as well as in optimizing micellar reactions or micelle-enhanced separation processes.},
author = {Wille, Susanne and Mokrushina, Liudmila and Smirnova, Irina and Arlt, Wolfgang},
doi = {10.1002/ceat.201000279},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
keywords = {COSMO-RS;Electrolytes;Micelle/water partition coefficients;Solubility measurements;Ultrafiltration},
pages = {2095-2101},
peerreviewed = {Yes},
title = {{Partition} {Coefficients} of {Alkyl} {Parabens} and {Ibuprofen} in {Micellar} {Systems}},
volume = {33},
year = {2010}
}
@article{faucris.115211404,
abstract = {The micelle-water partition coefficient K-MW is measured for itaconic acid and some of its esters for micellar solutions of the surfactants sodium dodecyl sulfate (SDS), cetyltrimethylammonium bromide (CTAB), and t-octylphenoxypolyethoxyethanol (Triton X-100). Additionally, K-MW is predicted using the conductor-like screening model for real solvents (COSMO-RS) and calculated from log K-MW-log K-OW relations. We find that, because of the increasing length of the alkyl chain in the ester, K-MW increases, and the COSMO-RS predicted values agree well with the experimental ones. Furthermore, COSMO-RS is used to screen the partitioning of the esters in micellar solutions of a homologous series of surfactants (NaCnS, n = 8-16). For hydrophobic solutes, we predicted an increase in K-MW with increasing n, while for less hydrophobic solutes, K-MW is constant.},
author = {Schwarze, Michael and Volovych, Irina and Wille, Susanne and Mokrushina, Liudmila and Arlt, Wolfgang and Schomäcker, Reinhard},
doi = {10.1021/ie2006565},
faupublication = {yes},
journal = {Industrial & Engineering Chemistry Research},
pages = {1846-1852},
peerreviewed = {unknown},
title = {{Partition} {Coefficients} of {Itaconates} in {Aqueous}-{Micellar} {Solutions}: {Measurements} and {Predictions} with {COSMO}-{RS}},
volume = {51},
year = {2012}
}
@article{faucris.123990284,
author = {Seiler, Matthias and Rolker, Jörn and Arlt, Wolfgang},
doi = {10.1021/ma025994n},
faupublication = {yes},
journal = {Macromolecules},
peerreviewed = {Yes},
title = {{Phase} {Behavior} and {Thermodynamic} {Phenomena} of {Hyperbranched} {Polymer} {Solutions}},
year = {2003}
}
@article{faucris.109838564,
author = {Deckert, Petra and Arlt, Wolfgang},
doi = {10.1002/cite.330690120},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Pilotanlage} zur simulierten {Gegenstromchromatographie} – {Ergebnisse} für die {Trennung} von {Fructose} und {Glucose}},
year = {1997}
}
@article{faucris.115496524,
abstract = {In this work, the potential of low-viscous branched polymers for gas separation applications such as CO absorption from flue gas is examined. Carbon dioxide and nitrogen solubilities are measured at low pressures for linear and branched polyethers, hyperbranched polyesters, and polyamines such as a polyamidoamine and a polyethylene imine as well as in their aqueous solutions. The results are reported in terms of Henry constants in the temperature range T = 310-370 K. The densities of the pure polymers and their aqueous solutions are measured between T = 293.15 and 363.15 K. The selectivities of the polymers for CO/N and the enthalpies of absorption at infinite dilution are determined. The group-contribution method UNIFAC-FV is applied to the CO solubilities in polyethers and the hyperbranched polyester. It has been shown that branched polymers are promising candidates for gas absorbents with a high capacity for CO and with large selectivities. The UNIFAC-FV model is able to predict the CO solubilities in the investigated polymers. © 2007 American Chemical Society.},
author = {Rolker, Jörn and Seiler, Matthias and Mokrushina, Liudmila and Arlt, Wolfgang},
doi = {10.1021/ie061637f},
faupublication = {yes},
journal = {Industrial & Engineering Chemistry Research},
pages = {6572-6583},
peerreviewed = {Yes},
title = {{Potential} of branched polymers in the field of gas absorption: {Experimental} gas solubilities and modeling},
volume = {46},
year = {2007}
}
@article{faucris.115185884,
abstract = {In order to develop an efficient and reliable methodology to select the molecular conformations of large flexible molecules, we suggest to combine the Conductor-like Screening Model for Realistic Solvation (COSMO-RS) with condensed phase molecular dynamics (MD) considering solute partitioning in aqueous micellar solutions as an example. In general, the whole procedure is aimed at consistent, reproducible, and foreseeable error behaviour in the COSMO-RS predictions of fluid phase equilibria in systems containing large flexible molecules (surfactants, drugs, macromolecules, etc.). (c) 2012 Elsevier B.V. All rights reserved.},
author = {Mokrushina, Liudmila and Yamin, Peyman and Sponsel, Elke and Arlt, Wolfgang},
doi = {10.1016/j.fluid.2012.07.021},
faupublication = {yes},
journal = {Fluid Phase Equilibria},
keywords = {Conformation;COSMO-RS;Fluid phase equilibrium;Micelle-water partition coefficient;Molecular dynamics},
pages = {37-42},
peerreviewed = {Yes},
title = {{Prediction} of phase equilibria in systems containing large flexible molecules using {COSMO}-{RS}: {State}-of-the-problem},
volume = {334},
year = {2012}
}
@article{faucris.118890244,
abstract = {For the first time the a-priori prediction method COSMO-RS is used to predict liquid chromatographic partitioning coefficients. Previous methods are based on several adjustable parameters used to describe physico-chemical properties of the mobile and stationary phase in the separation system examined. Due to the empirical parameter fitting, predictivity of these methods is limited. The COSMO-RS approach replaces adjustable parameters by quantum chemistry. Furthermore the complete thermodynamic information of the separation system is known. An empirical method to improve the results is shown. Its validation comprises various eluent systems lt is demonstrated that an a-priori choice of appropriate phases for chromatographic separation systems is possible. Furthermore it is a tool to guide chemists how to synthesize new stationary phases.},
author = {Reithinger, Martin and Arlt, Wolfgang},
doi = {10.1002/cite.201000172},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
keywords = {A-priori prediction;COSMO-RS;Partition coefficient;Quantum chemistry;RP-HPLC},
month = {Jan},
pages = {83-89},
peerreviewed = {Yes},
title = {{Prediction} of the {Partitioning} {Coefficient} in {Liquid}-{Solid} {Chromatography} using {COSMO}-{RS}},
volume = {83},
year = {2011}
}
@inproceedings{faucris.118922144,
abstract = {For the first time, the a-priori prediction method COSMO-RS is being used to predict liquid chromatographic partitioning coefficients. Previous methods such as Quantitative Structure Property Relationships (QSPR) are based on several adjustable parameters used to describe physico-chemical properties of the mobile and stationary phase in the separation system studied. Due to the empirical parameter fitting, QSPR methods have limited qualities in terms of true predictivity. The COSMO-RS approach replaces adjustable parameters by quantum chemistry. The complete thermodynamic information of the separation system, e.g., the miscibility of the eluent is known. An empirical method showed how to improve these good results. The validation of the method comprises eluent systems such as methanol/water, acetonitrile/water, and reversed solid stationary phases like C1, C3, C8, C18, and phenyl. Silanols were tested as stationary phases to check the assumption of pseudo liquid molecules. The quality of the prediction is dependent on a conformational analysis in the quantum chemistry step. Thus, an a-priori choice for appropriate phases for chromatographic separation systems is possible. Is a tool to guide chemists how to synthesize new phases. This is an abstract of a paper presented at the 8th World Congress of Chemical Engineering (Montréal, Quebec, Canada 8/23-27/2009).},
author = {Reithinger, Martin and Arlt, Wolfgang},
booktitle = {8th World Congress of Chemical Engineering: Incorporating the 59th Canadian Chemical Engineering Conference and the 24th Interamerican Congress of Chemical Engineering},
faupublication = {yes},
peerreviewed = {Yes},
title = {{Prediction} or the partitioning coefficient in uquid.solid chromatography using {Cosmo}-{RS}},
url = {https://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=77951589042&origin=inward},
venue = {Montreal, QC},
year = {2009}
}
@book{faucris.115474084,
abstract = {Electrospinning combined with nonsolvent-induced phase separation is a simple and novel method to produce porous nanofibers. In the study, Poly (vinylpyrrolidone) (PVP) nanofibers were fabricated using an electrospinning approach complemented by compressed nitrogen (N ). N was used as the nonsolvent of choice. Besides, the tunning of N pressure and temperature can impact the nanofibers' morphologies by altering phase behavior and mass transfer. Also, the other parameters affecting electrospinning of polymer solution were discussed. The results were demonstrated by extending the technique to PVP/dichloromethane (DCM) and PVP/ethanol (EtOH) systems. And the binary phase equilibrium of solvents (dichloromethane or ethanol) and N simulated by ASPEN PLUS 2006 demonstrates that N is not a good choice for producing hollow or porous polymer nanofibers. © (2012) Trans Tech Publications, Switzerland.},
author = {Li, Lu and Xu, Jie and Fang, Tao and Geng, Jin and Freitag, Detlef and Arlt, Wolfgang},
doi = {10.4028/www.scientific.net/AMR.560-561.701},
faupublication = {yes},
isbn = {9783037854600},
keywords = {Electrospinning; N 2; Poly (vinylpyrrolidone) (PVP); Supercritical fluids},
pages = {701-708},
peerreviewed = {Yes},
title = {{Producing} {PVP} nanofibers by electrospinning in {N} 2},
year = {2012}
}
@article{faucris.121287804,
author = {Keller, Tobias and Paul, Andreas and Bauer, Markus H. and Arlt, Wolfgang},
doi = {10.1002/cite.200800175},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
pages = {421-428},
peerreviewed = {Yes},
title = {{Prozessdatenvalidierung} in der rektifikation},
volume = {81},
year = {2009}
}
@article{faucris.124197964,
abstract = {Hydrodynamic parameters of ceramic sponges as column internals are investigated using X-ray computed tomography. New qualitative and quantitative insights into multiphase flow in ceramic sponges are gained and a phenomenological study is performed to investigate the flow paths, the hold-up and the effective gas-liquid interfacial area of the trickling liquid inside the sponge packing. The formation of rivulets inside the sponge packing and a redistribution of the liquid at intersections are detected. Additionally, it was observed that the liquid paths inside the sponge start to fluctuate with a higher superficial liquid velocity. A specially designed data processing routine is developed. In the experiments, the test column is operated in co-current (downwards) as well as countercurrent mode with an air-water system. The results are compared to literature data to evaluate the accuracy. The sponges investigated are varied in material, porosity and cell density to obtain knowledge concerning dependencies. The cell density and the superficial liquid velocity turned out to be the significant parameters for the hold-up and the effective gas-liquid interfacial area. (C) 2015 Elsevier Ltd. All rights reserved.},
author = {Wallenstein, M. and Hafen, N. and Heinzmann, H. and Schug, Sebastian and Arlt, Wolfgang and Kind, M. and Dietrich, B.},
doi = {10.1016/j.ces.2015.08.015},
faupublication = {yes},
journal = {Chemical Engineering Science},
keywords = {Ceramic sponge;Open-celled foam;Liquid hold-up;Effective interfacial area;X-ray computed tomography},
pages = {118-127},
peerreviewed = {Yes},
title = {{Qualitative} and quantitative insights into multiphase flow in ceramic sponges using {X}-ray computed tomography},
volume = {138},
year = {2015}
}
@article{faucris.118269844,
author = {Arlt, Wolfgang},
doi = {10.1002/cite.201190042},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Query} goodbye to continuously operating large commercial chemical plants},
volume = {83},
year = {2011}
}
@article{faucris.115577484,
author = {Wille, Susanne and Schwarze, Michael and Mokrushina, Liudmila and Smirnova, Irina and Schomäcker, Reinhard and Arlt, Wolfgang},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
pages = {1069-1070},
peerreviewed = {Yes},
title = {{Reactions} in micellar systems: prediction of partition coefficients.},
volume = {81},
year = {2009}
}
@inproceedings{faucris.108896084,
abstract = {Micellar systems offer the advantage to solubilize hydrophobic reactants, products, and catalysts without using org. solvents. In those systems, the ratio of reactant, product or catalyst concns. between the aq. and the micellar phase (so-called partition coeffs.) has a substantial influence on the reaction kinetics. Therefore, optimization of reaction conditions in micellar systems can be done based on the partition coeffs. This information can be used to design tailor-made surfactants. In the present study, the partition coeffs. are obtained by an a priori prediction using COSMO-RS (Conductorlike Screening Model for Real Solvents). This model is based on quantum mechanics and needs only the structure of reactants, products, and catalysts as an input. It is demonstrated that the hydrogenation reaction conditions can be optimized by choosing the most suitable surfactant and catalyst based on the prediction results. We thank German National Science Foundation (grant AR 236/32-1) for financial support. [on SciFinder(R)]},
author = {Wille, Susanne and Schwarze, Michael and Mokrushina, Liudmila and Smirnova, Irina and Schomäcker, Reinhard and Arlt, Wolfgang},
booktitle = {Abstracts of Papers, 239th ACS National Meeting, San Francisco, CA, United States, March 21-25, 2010},
faupublication = {yes},
pages = {IEC-145},
peerreviewed = {Yes},
publisher = {American Chemical Society},
title = {{Reactions} in micellar systems: {Prediction} of partition coefficients.},
year = {2010}
}
@article{faucris.239818504,
abstract = {Modelling flow and mass transfer of thermal separation equipment constitutes one of the most challenging tasks in fluids process engineering. The difficulty of this task comes from the multiscale multiphase flow phenomena in rather complex geometries. Both analysis of flow and mass transfer on different scales as well as validation of models and simulation results require advanced experimental and measurement techniques. As a follow-up to intensive discussions during the 2019 Tutzing Symposium "Separation Units 4.0" a wide set of available modern experimental technologies is presented.},
author = {Hampel, Uwe and Schubert, Markus and Doess, Alexander and Sohr, Johanna and Vishwakarma, Vineet and Repke, Jens-Uwe and Gerke, Soeren J. and Leuner, Hannes and Raedle, Matthias and Kapoustina, Viktoria and Schmitt, Lucas and Gruenewald, Marcus and Brinkmann, Jost H. and Plate, Dominik and Kenig, Eugeny Y. and Lutters, Nicole and Bolenz, Lukas and Buckmann, Felix and Toye, Dominique and Arlt, Wolfgang and Linder, Thomas and Hoffmann, Rainer and Klein, Harald and Rehfeldt, Sebastian and Winkler, Thomas and Bart, Hans-Joerg and Wirz, Dominic and Schulz, Jonas and Scholl, Stephan and Augustin, Wolfgang and Jasch, Katharina and Schlueter, Florian and Schwerdtfeger, Natalie and Jahnke, Stefan and Jupke, Andreas and Kabatnik, Christoph and Braeuer, Andreas Siegfried and D'Auria, Mirko and Runowski, Thomas and Casal, Maria Francisco and Becker, Karsten and David, Anna-Lena and Gorak, Andrzej and Skiborowski, Mirko and Gross, Kai and Qammar, Hina},
doi = {10.1002/cite.202000076},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
note = {CRIS-Team WoS Importer:2020-06-30},
peerreviewed = {Yes},
title = {{Recent} {Advances} in {Experimental} {Techniques} for {Flow} and {Mass} {Transfer} {Analyses} in {Thermal} {Separation} {Systems}},
year = {2020}
}
@article{faucris.123299704,
author = {Rüde, Timo and Bösmann, Andreas and Preuster, Patrick and Wasserscheid, Peter and Arlt, Wolfgang and Müller, Karsten},
doi = {10.1002/ente.201700446},
faupublication = {yes},
journal = {Energy Technology},
peerreviewed = {Yes},
title = {{Resilience} of {LOHC} {Based} {Energy} {Storage} {Systems}},
year = {2017}
}
@article{faucris.118875724,
abstract = {Chemical conversion is a key technology for hydrogen storage. Two basic options exist in this field: reversible storage using organic carrier materials (energy carrying compounds) and irreversible conversion into hydrocarbon fuels (gas-tofuel). It has been shown that reversible storage exhibits significantly higher overall storage efficiency for the electricity-to-electricity storage process. The high storage density and existing infrastructure for hydrocarbon fuels are advantages of the Fischer-Tropsch-process whereas process complexity favors reversible conversion.},
author = {Müller, Karsten and Geng, Jin and Arlt, Wolfgang},
doi = {10.1002/ente.201200022},
faupublication = {yes},
journal = {Energy Technology},
keywords = {energy storage;Fischer-Tropsch;fuels;hydrocarbons;hydrogen},
month = {Jan},
pages = {42-47},
peerreviewed = {unknown},
title = {{Reversible} vs. {Irreversible} {Conversion} of {Hydrogen}: {How} to {Store} {Energy} {Efficiently}?},
volume = {1},
year = {2013}
}
@article{faucris.115234724,
abstract = {The hydrogenation of itaconic acid and dimethyl itaconate is transferred from methanol to aqueous micellar solutions of several surfactants, e.g., SDS and Triton X-100, in order to facilitate the recovery of the catalyst. The reaction rate and selectivity strongly depends on the chosen surfactant and in some cases also on the surfactant concentration. In the best case the selectivity is the same as in methanol but the reaction rate is still lower because of a lower hydrogen solubility in water. Repetitive semi-batch experiments are chosen to demonstrate that high turn-over-numbers (> 1000) can be reached in aqueous micellar solutions. No notable catalyst deactivation is observed in these experiments. The performance of micellar reaction systems is controlled by the partition coefficient of the substrates between the micelles and the continuous aqueous phase which can be predicted using the Conductor-like Screening Model for Real Solvents (COSMO-RS).},
author = {Schwarze, M. and Milano-Brusco, J. S. and Strempel, V. and Hamerla, T. and Wille, S. and Fischer, C. and Baumann, W. and Arlt, Wolfgang and Schomäcker, R.},
doi = {10.1039/c1ra00397f},
faupublication = {yes},
journal = {RSC Advances},
month = {Jan},
pages = {474-483},
peerreviewed = {unknown},
title = {{Rhodium} catalyzed hydrogenation reactions in aqueous micellar systems as green solvents},
volume = {1},
year = {2011}
}
@article{faucris.115188964,
abstract = {An estimation method for the dipole moment is proposed in this work. Polarity is caused by the effect of different neighboring groups in a molecule. A second-order group contribution approach has been chosen due to its ability to account for this effect. It could be shown that the use of second-order groups can cause a significant increase in prediction quality compared to the conventional first-order approach. The prediction quality of the proposed method is good, even for higher values of the dipole moment. Those higher than about 3.5 D are however underestimated. The model also enables the prediction of the small but finite dipole moments of hydrocarbons. Adequate estimations are not limited to compounds from the training set, but also compounds from a test set show good prediction results. Hence, it can be concluded that this method is able to give quick and reliable predictions for not yet measured dipole moments.},
author = {Müller, Karsten and Mokrushima, Liudmila and Arlt, Wolfgang},
doi = {10.1021/je2013395},
faupublication = {yes},
journal = {Journal of Chemical and Engineering Data},
pages = {1231-1236},
peerreviewed = {Yes},
title = {{Second}-{Order} {Group} {Contribution} {Method} for the {Determination} of the {Dipole} {Moment}},
volume = {57},
year = {2012}
}
@article{faucris.120002784,
abstract = {Vapor-liquid equilibria (VLE) have been measured for five 1-hexene/n-hexane/ionic liquid systems and 1-hexene/n-hexane/NMP (N-methyl-2-pyrrolidone) system with a headspace-gas chromatography (HSGC) apparatus at 333.15 K. The ionic liquids investigated were 1,3-dimethylimidazolium tetrafluoroborate [CMIM][BF], 1-butyl-3-methylimidazolium tetrafluoroborate [CMIM][BF], 1-methyl-3-octylimidazolium tetrafluoroborate [CMIM][BF], 1,3-dimethylimidazolium dicyanamide [CMIM][N(CN)] and 1-octylquinolinium bis(trifluoromethylsulfonyl)amide [CChin][BTA]. It was found that at low feeding concentration of 1-hexene and n-hexane, the separation ability of ionic liquids is in the order of [CMIM][BF] > [CMIM][BF] ≈ [CMIM][N(CN)] > [CMIM][BF] > [CChin][BTA], which is consistent with the priori prediction of the COSMO-RS (conductor-like screening model for real solvents) model. But at high feeding concentration, the separation ability of ionic liquids is in the order of [CMIM][BF] < [CMIM][BF] ≈ [CMIM][N(CN)] < [CMIM][BF] < [CChin][BTA]. The liquid demixing effect should be taken into account. The activity coefficients of 1-hexene and n-hexane at infinite dilution calculated with the COSMO-RS model were correlated using the NRTL, Wilson and UNIQUAC model. In this work the predictive results from the COSMO-RS model and UNIFAC model for the 1-hexene/n-hexane and 1-hexene/n-hexane/NMP systems were compared. The UNIFAC model is one of the most important academic contributions by Prof. Jürgen Gmehling. © 2006 Elsevier B.V. All rights reserved.},
author = {Lei, Zhigang and Arlt, Wolfgang and Wasserscheid, Peter},
doi = {10.1016/j.fluid.2006.06.009},
faupublication = {yes},
journal = {Fluid Phase Equilibria},
keywords = {1-Hexene/n-hexane; COSMO-RS model; Ionic liquids; Selectivity; UNIFAC model; Vapor-liquid equilibria (VLE)},
pages = {29-35},
peerreviewed = {Yes},
title = {{Selection} of entrainers in the 1-hexene/n-hexane system with a limited solubility},
volume = {260},
year = {2007}
}
@article{faucris.115216024,
abstract = {The X-ray computed tomography (CV) is used to determine local parameters related to the column packing homogeneity and hydrodynamics in columns packed with spherically and irregularly shaped particles of same size. The results showed that the variation of porosity and axial dispersion coefficient along the column axis is insignificant, compared to their radial distribution. The methodology of using the data attained by CT measurements to perform a CFD simulation of a batch separation of model binary mixtures, with different concentration and separation factors is demonstrated. The results of the CFD simulation study show that columns packed with spherically shaped particles provide higher yield in comparison to columns packed with irregularly shaped particles only below a certain value of the separation factor. The presented methodology can be used for selecting a suited packing material for a particular separation task. (C) 2012 Elsevier B.V. All rights reserved.},
author = {Schmidt, Irma and Minceva, Mirjana and Arlt, Wolfgang},
doi = {10.1016/j.chroma.2011.12.072},
faupublication = {yes},
journal = {Journal of Chromatography A},
keywords = {Chromatography;Stationary phase;Particle geometry;X-ray computed tomography;CFD simulation},
pages = {141-149},
peerreviewed = {unknown},
title = {{Selection} of stationary phase particle geometry using {X}-ray computed tomography and computational fluid dynamics simulations},
volume = {1225},
year = {2012}
}
@article{faucris.115504004,
abstract = {This work deals with the separation of 1-hexene and n-hexane as the representation of olefins and paraffins with ionic liquids, as well as N-methyl-2-pyrrolidone (NMP) screened by computer-aided molecular design (CAMD). On the basis of conformation analysis of solvents and ionic liquids, the conductor-like screening model for real solvents (COSMO-RS) was used to make a priori prediction for suitable ionic liquids. It was found that the suitable ionic liquids should have small molecular volume, unbranched group and sterical shielding effect around anion charge center. Headspace-gas chromatography (HSGC) experiments were done at 313.15 and 333.15 K. It was verified that the anion with sterical shielding effect around anion charge center is favorable for increasing the selectivity, and [CChin][BTA] is the best among all the ionic liquids investigated. The separation mechanism of olefins and paraffins with ionic liquids can be explained by the theory of Prausnitz and Anderson's solution thermodynamics. This work also can be extended to the separation of other hydrocarbons with ionic liquids since the separation mechanism between n-hexane/1-hexene and other hydrocarbons is consistent. © 2006 Elsevier B.V. All rights reserved.},
author = {Arlt, Wolfgang and et al.},
author_hint = {Lei Z., Arlt W., Wasserscheid P.},
doi = {10.1016/j.fluid.2005.12.024},
faupublication = {yes},
journal = {Fluid Phase Equilibria},
keywords = {1-Hexene/n-hexane; COSMO-RS model; Extractive distillation; Ionic liquids; Prausnitz and Anderson's solution thermodynamics; Separation},
pages = {290-299},
peerreviewed = {Yes},
support_note = {Author relations incomplete. You may find additional data in field 'author{\_}hint'},
title = {{Separation} of 1-hexene and n-hexane with ionic liquids},
volume = {241},
year = {2006}
}
@article{faucris.108887284,
author = {Rolker, Jörn and Arlt, Wolfgang},
doi = {10.1002/cite.200600017},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
pages = {416-424},
peerreviewed = {Yes},
title = {{Separation} of carbon dioxide from flue gases by absorption},
volume = {78},
year = {2006}
}
@incollection{faucris.122534984,
author = {Bungert, Bernd and Tippl, R. and Sadowski, Gabriele and Arlt, Wolfgang},
booktitle = {Process Technology Proceedings Volume 12},
doi = {10.1016/S0921-8610(96)80090-2},
faupublication = {no},
peerreviewed = {Yes},
series = {Process Technology Proceedings},
title = {{Separation} of non-volatile components by expansion with high-pressure gases},
year = {1996}
}
@article{faucris.115176864,
abstract = {Chemical utilization of carbon dioxide seems to be an attractive option for the mitigation of greenhouse gas emissions. However, the respective processes themselves cause substantial greenhouse gas emissions. To achieve a good CO2 balance, it is necessary not only to fix carbon but also to do this efficiently in terms of reactant supply and energy demand. An evaluation of the CO2 balance requires detailed process simulation for the utilization reaction and the supply chain. To allow a quick evaluation of the potential to mitigate emissions, a number of estimation methods are presented.},
author = {Müller, Karsten and Arlt, Wolfgang},
doi = {10.1002/ceat.201400228},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
keywords = {Carbon dioxide;Carbon footprint;Chemical utilization;Greenhouse gas mitigation},
pages = {1612-1615},
peerreviewed = {Yes},
title = {{Shortcut} {Evaluation} of {Chemical} {Carbon} {Dioxide} {Utilization} {Processes}},
volume = {37},
year = {2014}
}
@book{faucris.108888604,
abstract = {Computational Fluid Dynamics is employed to develop models of (electro)chromatographic processes that take the radial coordinate into account. The liquid chromatographic models are based on the results of computed tomography experiments that proved the packing structure of the invastigated columns to be heterogenous. In the context of electrochromatography, CFD is used to evaluate the potential of the technique to be scaled up to columns sizes that have not yet been used in practice. © 2006 Elsevier B.V. All rights reserved.},
author = {Astrath, Dirk-Uwe and Schneider, Thomas and Arlt, Wolfgang},
doi = {10.1016/S1570-7946(06)80108-2},
faupublication = {yes},
keywords = {Computational Fluid Dynamics; Computed Tomography; Electrochromatography; Liquid Chromatography},
pages = {583-588},
peerreviewed = {Yes},
title = {{Simulation} of (electro)chromatography by means of {CFD}},
volume = {21},
year = {2006}
}
@article{faucris.122799644,
author = {Deckert, Petra and Arlt, Wolfgang},
doi = {10.1002/cite.330661004},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Simulierte} {Gegenstromchromatographie}},
year = {1994}
}
@article{faucris.242851242,
abstract = {
High speed jet penetration in fluidized beds
can be used for particle size control or comminution processes. Thus,
particle breakage is determined by the kinetic energy of the solids and
the frequency of particle-particle impacts inside the flow. Both aspects
are influenced by the solid concentration inside the jets and at the
boundary. For understanding the fundamental breakage mechanism, the
determination of the solid distribution in those complex flows is an
important contribution.
In order to access the turbulent and delicate multiphase flow, a modern fast X-ray computed tomography
unit was used in this work. To obtain quantitative solid
concentrations, the measurement system was optimized by means of
hardware filtering, exposure time and reconstruction algorithm. These
methods allowed the investigation of influencing parameters like jet
velocity, fluidization
velocity or particle size on the solid distribution in a single jet.
With the obtained experimental data, correlations for the axial and
radial solid distribution were developed. In addition, the influence of
multiple jet injection with a common focal point is presented.
},
author = {Köninger, Benedikt and Koegl, Thilo and Hensler, Timo and Arlt, Wolfgang and Wirth, Karl-Ernst},
doi = {10.1016/j.powtec.2018.05.035},
faupublication = {yes},
journal = {Powder Technology},
keywords = {Horizontal secondary gas injection; Jet milling; X-ray computed tomography; Solid distribution; Visualization of flow pattern},
pages = {57-69},
peerreviewed = {Yes},
title = {{Solid} distribution in fluidized and fixed beds with horizontal high speed gas jets},
volume = {336},
year = {2018}
}
@article{faucris.115238244,
abstract = {The aim of this investigation was to minimize the experimental effort for solvent system selection in counter-current chromatography. The separation mechanism in counter-current chromatography is based exclusively on the partitioning of the solute between the two liquid phases. Therefore, a quantum chemical method combined with statistical thermodynamics (conductor-like screening model for real solvents, COSMO-RS) was used for the prediction of the partition coefficient. A comparison of the experimental and predicted data for five model solutes systems demonstrated the potential of the use of COSMO-RS as a screening tool for the solvent system selection. (C) 2010 Elsevier B.V. All rights reserved.},
author = {Hopmann, Elisabeth and Arlt, Wolfgang and Minceva, Mirjana},
doi = {10.1016/j.chroma.2010.11.018},
faupublication = {yes},
journal = {Journal of Chromatography A},
keywords = {Counter-current chromatography;Solvent system selection;Solvent system screening;COSMO-RS;Two-phase liquid system},
month = {Jan},
pages = {242-250},
peerreviewed = {Yes},
title = {{Solvent} system selection in counter-current chromatography using conductor-like screening model for real solvents},
volume = {1218},
year = {2011}
}
@article{faucris.289686336,
abstract = {The liquid axial dispersion inside modern structured packings (Sulzer Mellapak™ 500.Y, Raschig Super-Pak 350Y) and one random packing of the 4th generation (Raschig Super-Ring 0.3) was measured by means of computed tomography. As the gas velocity is known to have little effect on the liquid axial dispersion at low hydraulic load, all experiments were conducted without countercurrent gas flow at liquid loads of B = 10, 15, and 20 m3m−2h−1 in a column with an inner diameter of 100 mm. Injection of the X-ray-active tracer potassium iodide allows the identification of active and passive liquid accumulations inside the structured packing. Good agreement was found between the active liquid holdup from tomographic images and the total holdup calculated from the mean residence time for the structured packings.},
author = {Kögl, Thilo and Linder, Thomas and Arlt, Wolfgang},
doi = {10.1002/ceat.202200174},
faupublication = {yes},
journal = {Chemical Engineering & Technology},
keywords = {Axial dispersion; Computed tomography; Fluid dynamics; Random packings; Structured packings},
note = {CRIS-Team Scopus Importer:2023-02-24},
peerreviewed = {Yes},
title = {{Spatially} {Resolved} {Tomographic} {Assessment} of {Axial} {Mixing} in {Structured} and {Random} {Packings}},
year = {2023}
}
@article{faucris.115179064,
abstract = {Hydrogen has been discussed as an option for energy storage for decades, but research and development efforts have accelerated within the last few years. The main drawback of energy storage using hydrogen is the low volumetric storage density. A broad spectrum of technologies has been developed to make storage and transport of energy using hydrogen feasible. Many of these approaches shift the challenge from volumetric to gravimetric storage density. Furthermore the electricity-to-electricity efficiency is a demanding topic in the field of hydrogen energy. This review gives an overview of the different approaches suggested so far, from the storage of elemental hydrogen to the reversible and irreversible conversion of hydrogen.},
author = {Müller, Karsten and Arlt, Wolfgang},
doi = {10.1002/ente.201300055},
faupublication = {yes},
journal = {Energy Technology},
keywords = {energy storage;hydrogen;porous materials;storage density;storage efficiency},
pages = {501-511},
peerreviewed = {unknown},
title = {{Status} and {Development} in {Hydrogen} {Transport} and {Storage} for {Energy} {Applications}},
volume = {1},
year = {2013}
}
@article{faucris.108854284,
abstract = {Cellulose membranes with different molecular weight cut-offs (MWCO, 5-100 kDa) were used for the filtration of aqueous micellar TX-100 solutions. The experiments were performed in a stirred cell and surfactant concentration and pressure were varied. The gel-polarization model was employed and showed a gel concentration for TX-100 in the range of 150-300 g/L. Ultrafiltration was also carried out with dimethyl itaconate (DMI) and diethyl itaconate (DEI) as dissolved organic compounds and we found that the solute retention was directly associated to the hydrophobicity of the compounds. The flux was not affected as long as the solution appears homogeneous and the formation of a second phase with higher organic content was avoided. In order to use micellar enhanced ultrafiltration (MEUF) for the recovery of hydrophobic catalysts dissolved in aqueous micellar reaction media, a low MWCO membrane, low surfactant concentrations and hydrophilic reactants should be preferred. (C) 2010 Elsevier B.V. All rights reserved.},
author = {Schwarze, M. and Le, D. K. and Wille, S. and Drews, A. and Arlt, Wolfgang and Schomaecker, R.},
doi = {10.1016/j.seppur.2010.05.003},
faupublication = {yes},
journal = {Separation and Purification Technology},
keywords = {Micellar enhanced ultrafiltration (MEUF);Triton X-100;Gel concentration},
pages = {21-27},
peerreviewed = {Yes},
title = {{Stirred} cell ultrafiltration of aqueous micellar {TX}-100 solutions},
volume = {74},
year = {2010}
}
@article{faucris.122115224,
author = {Beck, Michael and Müller, Karsten and Arlt, Wolfgang},
doi = {10.1016/j.enbuild.2016.04.041},
faupublication = {yes},
journal = {Energy and Buildings},
peerreviewed = {Yes},
title = {{Storing} surplus solar energy in low temperature thermal storage for refrigeration applications},
year = {2016}
}
@article{faucris.123811424,
author = {Ching, C.B. and Wu, Y.X. and Lisso, M. and Wozny, G. and Laiblin, Tobias and Arlt, Wolfgang},
doi = {10.1016/S0021-9673(01)01479-0},
faupublication = {yes},
journal = {Journal of Chromatography A},
peerreviewed = {Yes},
title = {{Study} of feed temperature control of chromatography using computional fluid dynamics simulation.},
year = {2002}
}
@inproceedings{faucris.123429284,
author = {Lottes, Florian and Arlt, Wolfgang and Astrath, Dirk-Uwe and Stenby, Erling H.},
booktitle = {2006 AIChE Annual Meeting},
faupublication = {yes},
isbn = {9780816910120},
peerreviewed = {Yes},
title = {{Study} on packing structures in liquid chromatography ({LC}) columns based on {X}-ray {CT}},
url = {https://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=57049124159&origin=inward},
venue = {San Francisco, CA},
year = {2006}
}
@article{faucris.106420644,
author = {Bungert, Bernd and Sadowski, Gabriele and Arlt, Wolfgang},
doi = {10.1016/S0378-3812(97)00167-2},
faupublication = {yes},
journal = {Fluid Phase Equilibria},
peerreviewed = {Yes},
title = {{Supercritical} antisolvent fractionation: measurements in the systems monodisperse and bidisperse polystyrenesingle bondcyclohexanesingle bondcarbon dioxide},
year = {1997}
}
@article{faucris.115179504,
abstract = {Carbon dioxide can be used in various ways as a cheap C1 source. However, the utilization of CO2 requires energy or energy-rich reagents, which leads to further emissions, and therefore, diminishes the CO2-saving potential. Therefore, life cycle assessment (LCA) is required for each process that uses CO2 to provide valid data for CO2 savings. Carbon dioxide can be incorporated into epoxidized fatty acid esters to provide the corresponding carbonates. A robust catalytic process was developed based on simple halide salts in combination with a phase-transfer catalyst. The CO2-saving potential was determined by comparing the carbonates as a plasticizer with an established phthalate-based plasticizer. Although CO2 savings of up to 80% were achieved, most of the savings arose from indirect effects and not from CO2 utilization. Furthermore, other categories have been analyzed in the LCA. The use of biobased material has a variety of impacts on categories such as eutrophication and marine toxicity. Therefore, the benefits of biobased materials have to be evaluated carefully for each case. Finally, interesting properties as plasticizers were obtained with the carbonates. The volatility and water extraction could be improved relative to the epoxidized system.},
author = {Schäffner, Benjamin and Blug, Matthias and Kruse, Daniela and Polyakov, Mykola and Köckritz, Angela and Martin, Andreas and Rajagopalan, Prasanna and Bentrup, Ursula and Brückner, Angelika and Jung, Sebastian and Agar, David and Rüngeler, Bettina and Pfennig, Andreas and Müller, Karsten and Arlt, Wolfgang and Woldt, Benjamin and Graß, Michael and Buchholz, Stefan},
doi = {10.1002/cssc.201301115},
faupublication = {yes},
journal = {Chemsuschem},
keywords = {carbon dioxide fixation;fatty acids;homogeneous catalysis;sustainable chemistry},
pages = {1133-1139},
peerreviewed = {Yes},
title = {{Synthesis} and {Application} of {Carbonated} {Fatty} {Acid} {Esters} from {Carbon} {Dioxide} {Including} a {Life} {Cycle} {Analysis}},
volume = {7},
year = {2014}
}
@article{faucris.118897504,
author = {Smirnova, Irina and Arlt, Wolfgang},
faupublication = {yes},
journal = {Journal of Sol-Gel Science and Technology},
peerreviewed = {Yes},
title = {{Synthesis} of {Silica} {Aerogels}: {Influence} of the {Supercritical} {CO2} on the {Sol}-{Gel} {Process}},
year = {2003}
}
@misc{faucris.113100504,
abstract = {The system for utilizing hydrogen comprises a transfer hydrogenation device that includes a transfer hydrogenation unit for hydrogenating a material to be hydrogenated, and a hydrogen supplying device for supplying hydrogen for the transfer hydrogenation device. The hydrogen supplying device allows hydrogen to be supplied in a bound form for the transfer hydrogenation device and is provided with a loading unit for loading a carrier medium with hydrogen. [on SciFinder(R)]},
author = {Arlt, Wolfgang and Bösmann, Andreas and Preuster, Patrick and Wasserscheid, Peter},
faupublication = {yes},
keywords = {system utilizing hydrogen},
peerreviewed = {automatic},
title = {{System} and method for utilizing hydrogen.},
year = {2015}
}
@article{faucris.115505764,
abstract = {This article presents a first consequent thermodynamic optimization of ionic liquids (IL) as entrainers in the distillative separation of both an azeotropic aqueous (tetrahydrofuran + water) and a close-boiling aromatic test system (methylcyclohexane + toluene) on the basis of COSMO-RS predictions. The use of this method allows for the preselection from the large pool of available IL. Thus, favorable structural variations were identified and used for tailoring IL entrainers. For the prediction of activity coefficients with COSMO-RS, the use of different conformations of the components, derived from conformational analyses, leads to varying results. The simulations showed that the influence of conformations of the volatile components and the ionic liquids depends largely on the type of the phase equilibrium, which is investigated. The approach to tailor ionic liquids as additives for separation science starts with the prediction of the activity coefficients at infinite dilution. The simulation indicated that a higher degree of branching or longer alkyl substituents on the cation, as well as a low nucleophilicity of the anion decreases both selectivity and capacity in the polar test mixture. However, COSMO-RS calculations for the non-polar mixture showed that the selection of an entrainer for this system is more complicated, because - contrarily to (tetrahydrofuran + water) - structural variations of the IL entrainer cause converse changes in selectivity and capacity: while the selectivity for toluene increases with a lower degree of branching and a shorter alkyl substituent of the cation as well as with a lower nucleophilicity of the anion, these properties decrease the capacity. In this work, the most favorable IL entrainers were synthesized and the separation factors of the test systems were experimentally validated at finite dilution. © 2005 Elsevier Ltd. All rights reserved.},
author = {Arlt, Wolfgang and et al.},
author_hint = {Jork C., Kristen C., Pieraccini D., Stark A., Chiappe C., Beste Y., Arlt W.},
doi = {10.1016/j.jct.2005.04.013},
faupublication = {yes},
journal = {Journal of Chemical Thermodynamics},
keywords = {Azeotrope; Close-boiling; COSMO-RS; Distillation; Entrainer for separation processes; Ionic liquid},
pages = {537-558},
peerreviewed = {Yes},
support_note = {Author relations incomplete. You may find additional data in field 'author{\_}hint'},
title = {{Tailor}-made ionic liquids},
volume = {37},
year = {2005}
}
@article{faucris.117182604,
author = {Brandt, A. and Mann, G. and Arlt, Wolfgang},
doi = {10.1016/S0021-9673(97)00235-5},
faupublication = {yes},
journal = {Journal of Chromatography A},
peerreviewed = {Yes},
title = {{Temperature} gradients in preparative high-performance liquid chromatography columns},
year = {1997}
}
@article{faucris.115199744,
abstract = {Sequential centrifugal partition chromatography (sCPC) is a novel cyclic liquid-liquid chromatographic process. Each cycle comprises two steps, which differ by the liquid phase used as a mobile phase (upper or lower phase) and its flow direction. The feed is continuously separated into two product streams, which are collected alternately. The process includes six (four flow rates and two-step durations) interconnected operating parameters. In this work, by imposing a complete separation of a binary feed mixture and using the assumption of instantaneous solutes partition equilibrium, a set of constraints on the sCPC unit operating parameters is derived. Using these constraints, a region of complete separation, composed of a set of combinations of the two-step times, can be defined for a preselected feed and mobile phase flow rates. The approach is validated by simulation of a binary mixture separation in a sCPC using the cell model. (C) 2012 American Institute of Chemical Engineers AIChE J, 59: 241-249, 2013},
author = {Völkl, Johannes and Arlt, Wolfgang and Minceva, Mirjana},
doi = {10.1002/aic.13812},
faupublication = {yes},
journal = {Aiche Journal},
keywords = {countercurrent chromatography;sequential centrifugal partition chromatography;true moving bed;operating parameters;modeling;simulation},
month = {Jan},
pages = {241-249},
peerreviewed = {Yes},
title = {{Theoretical} {Study} of {Sequential} {Centrifugal} {Partition} {Chromatography}},
volume = {59},
year = {2013}
}
@article{faucris.107420104,
abstract = {The present favored use of amines such as methyl ethyl amine (MEA) for flue gas scrubbing involves chemisorptive bonding of the carbon dioxide the disadvantage of which is the energy intensive regeneration. The choice of scrubbing agent thus plays a central role. Various branched polymers (polyethers, polyesters, polyamines) with respect to their suitability as absorption agent were considered for their suitability as absorption agents for carbon dioxide separation from flue gases. Solubility results of various gases (carbon dioxide and nitrogen) in the branched polymers and solubility of carbon dioxide in aqueous polymer solutions were presented and the influence of structure and functional groups on selectivity and capacity was considered. For chosen gas/liquid equilibria (GLE), UNIFAC-FV modeling results were presented. Building on the measured GLE, process syntheses were made. The resulting absorption processes were depicted in Aspen Plus and evaluated in terms of energy use and compared with state of the art absorption processes. The use of novel scrubbing agents instead of conventional absorbents is a promising alternative for carbon dioxide separation from flue gases. Graph.},
author = {Rolker, Jörn and Seiler, Matthias and Arlt, Wolfgang},
doi = {10.1002/cite.200650256},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{The} potential of new scrubbing agents for carbon dioxide absorption from flue gases},
volume = {78},
year = {2006}
}
@article{faucris.123581744,
author = {Arlt, Wolfgang and Goedecke, Ralf},
doi = {10.1002/cite.200303310},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {„{Thermische} {Zerlegung} von {Gas}- und {Flüssigkeitsgemischen}” im {Spiegel} des {GVC}-{Fachausschusses} – {Rückblick} und {Ausblick}},
year = {2003}
}
@article{faucris.115245504,
abstract = {The chemical equilibrium of mutual interconversions of tert-alkyl-benzenes was studied in the temperature range (286 to 423)K using chloroaluminate ionic liquids as a catalyst. The knowledge of the activity coefficients is required in order to obtain the thermodynamic equilibrium constants K(a). A well established procedure, COSMO-RS, has been used to assess activity coefficients of the reaction participants in the liquid phase. Enthalpies of five reactions of isomerisation and transalkylation of tert-alkyl-benzenes were obtained from temperature dependences of the corresponding equilibrium constants in the liquid phase. For the sake of comparison, high-level ab initio calculations of the reaction participants have been performed using the Gaussian-03 program package. Absolute electronic energy values of the molecules have been obtained using B3LYP and G3MP2 level. Using these results enthalpies of reaction of isomerisation and transalkylation of tert-alkyl-benzenes in the liquid phase based on the first principles are found to be in good agreement with the data obtained from the thermochemical measurements. (C) 2010 Elsevier Ltd. All rights reserved.},
author = {Verevkin, Sergey P. and Emel'Yanenko, Vladimir N. and Hopmann, Elisabeth and Arlt, Wolfgang},
doi = {10.1016/j.jct.2010.01.006},
faupublication = {yes},
journal = {Journal of Chemical Thermodynamics},
keywords = {Equilibrium;COSMO-RS;Enthalpy of reaction;Alkylbenzenes;Ab initio calculations},
pages = {719-725},
peerreviewed = {Yes},
title = {{Thermochemistry} of ionic liquid-catalysed reactions. {Isomerisation} and transalkylation of tert-alkyl-benzenes. {Are} these systems ideal?},
volume = {42},
year = {2010}
}
@article{faucris.121743864,
abstract = {Thermal energy storages and heat pump units represent an important part of high efficient renewable energy systems. By using thermally driven, reversible chemical reactions a combination of thermal energy storage and heat pump can be realized. The influences of thermophysical properties of the involved components on the efficiency of a heat pump cycle is analysed and the relevance of the thermodynamic driving force is worked out. In general, the behaviour of energetic and exergetic efficiency is contrary. In a real cycle, higher enthalpies of reaction decrease the energetic efficiency but increase the exergetic efficiency. Higher enthalpies of reaction allow for lower offsets from equilibrium state for a default thermodynamic driving force of the reaction. (C) 2015 Elsevier Ltd. All rights reserved.},
author = {Obermeier, Jonas and Müller, Karsten and Arlt, Wolfgang},
doi = {10.1016/j.energy.2015.05.076},
faupublication = {yes},
journal = {Energy},
keywords = {Chemical heat pump;Thermochemical heat storage;Exergy analysis;Reaction equilibrium;Thermodynamic driving force},
pages = {489-496},
peerreviewed = {Yes},
title = {{Thermodynamic} analysis of chemical heat pumps},
volume = {88},
year = {2015}
}
@inproceedings{faucris.119594684,
author = {Adametz, Patrick and Müller, Karsten and Arlt, Wolfgang},
booktitle = {Sustainable Engineering Forum 2014 - Core Programming Area at the 2014 AIChE Annual Meeting},
faupublication = {yes},
isbn = {9781510812741},
peerreviewed = {Yes},
publisher = {AIChE},
title = {{Thermodynamic} analysis of hydrogen storage in metal hydrides},
url = {https://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84958540500&origin=inward},
year = {2014}
}
@article{faucris.120502184,
abstract = {Heat storage in concentrated solar power plants is required to compensate for variable availability of solar radiation. The energy density achievable with thermochemical heat storage is higher than for molten salt which represents the state of the art technology. The efficiency of different reversible hydrogenation reactions as thermochemical heat storage systems have been examined, since they can be operated at appropriate temperatures. Thermal efficiency of reversible hydrogenation based thermal energy storage can reach values up to 65.9% and an overall efficiency of up to 23.1% compared to 25.7% without heat storage. The LOHC dibenzyltoluene and the metal hydride magnesium hydride turn out to be most suitable for this application. (C) 2015 Elsevier Ltd. All rights reserved.},
author = {Krieger, Christoph and Müller, Karsten and Arlt, Wolfgang},
doi = {10.1016/j.solener.2015.11.007},
faupublication = {yes},
journal = {Solar Energy},
keywords = {Thermal energy storage;LOHC;Metal hydride;Thermodynamics},
month = {Jan},
pages = {40-50},
peerreviewed = {Yes},
title = {{Thermodynamic} analysis of reversible hydrogenation for heat storage in concentrated solar power plants},
volume = {123},
year = {2016}
}
@inproceedings{faucris.115508844,
abstract = {The climate change is related by most of the researchers to the increased content of CO in the terrestrial atmosphere. The primary choices for action are the reduction of the use of fossil energy by conservation and the use of in short time renewable energy. Before CO is sequestered, it has to be captured. For old power plants, the CO has to be removed from the flue gas by adsorption, absorption, or membranes. For new power plants, different thermodynamic cycles are possible. The demands to thermodynamics are presented. A novel absorption solvent is described and compared to the existing technology using amines or methanol. The use of energy and work for the separation process can only be predicted if the full power plant is simulated. This is an abstract of a paper presented at the 7th World Congress of Chemical Engineering (Glasgow, Scotland 7/10-14/2005).},
author = {Arlt, Wolfgang},
booktitle = {7th World Congress of Chemical Engineering, GLASGOW2005, incorporating the 5th European Congress of Chemical Engineering},
faupublication = {yes},
isbn = {9780852954942},
peerreviewed = {Yes},
title = {{Thermodynamic} considerations for preventing the climate change},
url = {https://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=33645140170&origin=inward},
venue = {Glasgow, Scotland},
year = {2005}
}
@article{faucris.115181044,
abstract = {The production of chemical compounds from carbon dioxide could be a way to reduce this major greenhouse gas and gain a cheap raw material base. A variety of potential reactions might be suitable from a chemical point of view, but the low energetic level of carbon dioxide leads to severe limitations of the thermodynamic equilibrium. Most carbon dioxide utilization reactions are therefore not meaningful for an implementation outside the laboratory. This article gives an overview of the potential reactions to produce fine chemicals from carbon dioxide and their thermodynamic feasibility.},
author = {Müller, Karsten and Mokrushina, Liudmila and Arlt, Wolfgang},
doi = {10.1002/cite.201300152},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
keywords = {Carbon dioxide;Chemical utilization;Greenhouse gas mitigation;Reaction equilibrium;Thermodynamics},
pages = {497-503},
peerreviewed = {Yes},
title = {{Thermodynamic} {Constraints} for the {Utilization} of {CO2}},
volume = {86},
year = {2014}
}
@article{faucris.109779604,
author = {Adametz, Patrick and Pötzinger, Christian and Müller, Stefan and Müller, Karsten and Preißinger, Markus and Lechner, Raphael and Brüggemann, Dieter and Brautsch, Markus and Arlt, Wolfgang},
doi = {10.1002/ente.201600388},
faupublication = {yes},
journal = {Energy Technology},
peerreviewed = {unknown},
title = {{Thermodynamic} evaluation and carbon footprint analysis of the application of hydrogen-based energy storage systems in residential buildings},
year = {2016}
}
@article{faucris.115200184,
author = {Müller, Karsten and Völkl, Johannes and Arlt, Wolfgang},
doi = {10.1002/ente.201200045},
faupublication = {yes},
journal = {Energy Technology},
keywords = {aromatics;energy storage;hydrogenations;simulations;thermodynamics},
month = {Jan},
pages = {20-24},
peerreviewed = {Yes},
title = {{Thermodynamic} {Evaluation} of {Potential} {Organic} {Hydrogen} {Carriers}},
volume = {1},
year = {2013}
}
@article{faucris.109832404,
author = {Lamm, St. and Arlt, Wolfgang},
faupublication = {yes},
journal = {BWK Das Energie Fachmagazin},
peerreviewed = {Yes},
title = {{Thermodynamische} {Betrachtung} eines {Verfahrens} zur {Umwandlung} von {Biomasse} in flüssige {Brennstoffe}},
year = {1995}
}
@article{faucris.117352664,
author = {Burgdorf, R. and Zocholl, A. and Arlt, Wolfgang and Knapp, Helmut},
doi = {10.1016/S0378-3812(99)00234-4},
faupublication = {yes},
journal = {Fluid Phase Equilibria},
peerreviewed = {Yes},
title = {{Thermophysical} properties of binary liquid mixtures of polyether and n-alkane at 298.15 and 323.15 {K}: heat of mixing, heat capacity, viscosity, density and thermal conductivity},
year = {1999}
}
@article{faucris.106733264,
author = {Kögl, Thilo and Arlt, Wolfgang},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Tomographische} {Messtechnik} zur {Visualisierung} von {Einzeltropfen} in {Extraktionskolonnen} {Tomographic} {Visualization} of {Single} {Droplets} {Inside} {Liquid}-{Liquid} {Extraction} {Columns}},
year = {2017}
}
@article{faucris.120315844,
abstract = {The transesterification of palm oil in supercritical methanol has been investigated without using any catalyst. HCFC-141b was used as co-solvent to reduce the molar ratio of methanol to palm oil under the milder conditions. The reaction was carried out in a flow-type tubular reactor. The residence time was fixed at 40 min. When the molar ratio of methanol to palm oil was set to 20:1 at 325 °C and 35 MPa, the optimum molar ratio of methanol to co-solvent was found to be 20:1. Addition of HCFC-141b increased FAME production even at the lower molar ratio of methanol to palm oil. In addition, a similar FAME content was obtained under the milder conditions (5 MPa lower pressure) compared with conditions without co-solvent at higher pressure. The role of HCFC-141b in the transesterification reaction under supercritical conditions was investigated. © Springer Science+Business Media B.V. 2009.},
author = {Hong, Seung Tae and Kim, Jin-Woo and Jang, Won-Ho and Lim, Jong Sung and Park, Hyung Sang and Yoo, Ki-Pung and Apfel, Carolin and Arlt, Wolfgang},
doi = {10.1007/s11164-008-0018-0},
faupublication = {yes},
journal = {Research on Chemical Intermediates},
keywords = {Biodiesel; Co-solvent; FAME; HCFC-141b; Supercritical methanol; Transesterification},
pages = {197-207},
peerreviewed = {Yes},
title = {{Transesterification} of palm oil using supercritical methanol with co-solvent {HCFC}-141b},
volume = {35},
year = {2009}
}
@article{faucris.122411784,
author = {Arlt, Wolfgang},
doi = {10.1002/cite.330570518},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Untersuchung} von {Phasengleichgewichten} in entmischenden {Systemen}"},
year = {1985}
}
@article{faucris.122599004,
author = {Joo, Hyoek-Jong and Arlt, Wolfgang},
doi = {10.1021/je00024a010},
faupublication = {yes},
journal = {Journal of Chemical and Engineering Data},
peerreviewed = {Yes},
title = {{Vapor}-liquid equilibrium for the binary systems ethylene glycol-n-amyl alcohol and ethylene glycol-isoamyl alcohol},
year = {1981}
}
@article{faucris.117364544,
author = {Arlt, Wolfgang},
doi = {10.1002/cite.200390069},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Verfahrenstechnische} {Möglichkeiten} zur {Verringerung} des {Anstiegs} von {Kohlendioxid} in der {Luft}},
year = {2003}
}
@article{faucris.117776164,
author = {Arlt, Wolfgang and Grenzheuser, Peter and Mourits Sørensen, Jens},
doi = {10.1002/cite.330530706},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Vorausberechnung} von {Flussig}/{Flussig}-{Gleichgewichten}},
year = {1981}
}
@article{faucris.108843284,
author = {Spuhl, Oliver and Arlt, Wolfgang and Hernandez, Armando del Rio},
doi = {10.1002/cite.200390022},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Vorhersage} von thermodynamischen {Stoffeigenschaften} mit dem {Kontinuumsmodell} {COSMO}-{RS}},
year = {2003}
}
@inproceedings{faucris.119752864,
abstract = {X-ray computed tomography (CT) is an established method in non-destructive testing / evaluation (NDT / NDE) applications. A wide range of CT systems is available to the market distinct mainly by resolution properties. The process X-ray tomography application requires for an adaption of the process device which in some cases can be mounted on the rotation stage of the standard CT apparatus. Most representative examples are compact fatigue testing devices providing multiaxial forces to the tensile specimen encapsulated in a mostly X-ray transparent housing. This procedure is usually applied to relatively small and isolated samples. For processes that cannot be measured in an isolated environment, due to their size or other boundaries application specific CT systems can be developed using a large variety of X-ray components available on the market. In this contribution the Fraunhofer Development Centre for X-ray Technology (EZRT) shows application specific solutions realized in the past years for process monitoring in material science and chemistry. One focus of the contribution is the CT of packed distillation columns applied for the investigation of the fluid dynamics and transportation processes in different packing systems at the Institute of Separation Science and Technology, University of Erlangen-Nürnberg. Fluid dynamic parameters in distillation columns (like interfacial area, liquid hold-up and liquid film thickness on the packing or between two liquid phases) can be directly estimated from the recorded CT images of a packing cross section at different height positions along the column in operation. A segmentation process allows for a quantitative evaluation of the fluid behaviour corresponding to the packaging. The CT system is adapted to scan a chromatography or distillation column in its vertical orientation using a horizontally rotating X-ray gantry setup allowing for gravity affected measurements relevant in e.g. low pressure fluid systems. The setup allows for versatile applications with a CT scan rate of 1 Hz at a maximum resolution down to 70 microns for objects between 50 and 200 mm. This technique replaces today the commonly applied medical CT for such kind of experiments. Another presented example for a process adapted CT setup provides an insight into the Physical Vapor Transport (PVT) process at 2200°C allowing in-situ observation of the growth of SiC bulk crystals. The actual results achieved at the Crystal Growth Lab, University of Erlangen-Nürnberg by adaption of an X-ray tomography setup to a customized growth chamber setup will be presented and an outlook on the development tasks will be given.},
author = {Salamon, Michael and Reisinger, S. and Schlechter, T. and Schmitt, M. and Hofmann, T. and Uhlmann, Norman and Schug, Sebastian and Arlt, Wolfgang and Fahlbusch, Lars and Arzig, Matthias and Wellmann, Peter},
booktitle = {WCIPT8 - 8th WORLD CONGRESS ON INDUSTRIAL PROCESS TOMOGRAPHY},
date = {2016-09-26/2016-09-29},
editor = {International Society for Industrial Process},
faupublication = {yes},
isbn = {978 0 853 16349 7},
keywords = {X-ray tomography; 4D-CT; Fluid dynamics; Crystal growth},
peerreviewed = {No},
publisher = {International Society for Industrial Process Tomography},
title = {{X}-{Ray} {Computed} {Tomography} specifically adapted for monitoring of dynamic processes in material science and chemistry},
url = {http://www.isipt.org/world-congress/8.html},
venue = {Iguassu Falls},
year = {2016}
}
@article{faucris.119959664,
author = {Arlt, Wolfgang},
doi = {10.1002/cite.200490048},
faupublication = {yes},
journal = {Chemie Ingenieur Technik},
peerreviewed = {Yes},
title = {{Zur} eliteuniversität braucht es eine prozessgröße!},
volume = {76},
year = {2004}
}