Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Thorsten Schnabel"'
Publikováno v:
Industrial & Engineering Chemistry Research. 48:10110-10119
A pseudoensemble, the Mollier ensemble, is proposed for the dew point calculation of humid air systems. This approach combines features of the isobaric−isothermal (NpT) ensemble and the grand-canonical (μVT) ensemble. The molecular model for dry a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dd14190a831a27133839f57895fca2a6
https://doi.org/10.1021/ie9005707
https://doi.org/10.1021/ie9005707
Publikováno v:
ResearcherID
Molecular simulation is used to study vapor–liquid equilibria of 31 binary mixtures consisting of one hydrogen bonding and one non-hydrogen bonding component. Two new pure component molecular models are presented for the hydrogen bonding fluids mon
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::445e8421bb4848f439f0bb71ed50e219
https://doi.org/10.1016/j.fluid.2007.10.003
https://doi.org/10.1016/j.fluid.2007.10.003
Publikováno v:
The Journal of Physical Chemistry B. 111:9871-9878
Molecular dynamics simulation results on hydrogen bonding in mixtures of methanol with CO2 at supercritical, liquid-like conditions are compared to 1H NMR spectroscopic data that have recently become available. The molecular models are parametrized u
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47b237bf6ab7abbab40ed8575ff1c303
https://doi.org/10.1021/jp0720338
https://doi.org/10.1021/jp0720338
Publikováno v:
Chemical Physics Letters. 435:268-272
A new molecular model for formic acid is proposed which favorably describes vapor–liquid equilibrium properties in the full temperature range. The geometry of the model was determined by quantum chemical calculations of the cis -conformer. The mode
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e709afa7c04b9b7025a1a468276403fe
https://doi.org/10.1016/j.cplett.2006.12.091
https://doi.org/10.1016/j.cplett.2006.12.091
Publikováno v:
Fluid Phase Equilibria. 233:134-143
Henry’s law constants of the solutes methane, nitrogen, oxygen and carbon dioxide in the solvent ethanol are predicted by molecular simulation. The molecular models for the solutes are taken from previous work. For the solvent ethanol, a new rigid
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::03c451a4b39a82fb72d0c978ca6b8b3b
https://doi.org/10.1016/j.fluid.2005.04.016
https://doi.org/10.1016/j.fluid.2005.04.016
Publikováno v:
Chemical Engineering Research and Design. 82:445-456
Experimental data were obtained for the evaporation of water in a vertical thermosiphon reboiler having 50 tubes of 3 m length and 25.4 mm outer diameter. The effect of step changes in heat load was noted for operation over a pressure range from 0.2
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c2bc3062e7ddf6125d13ab519e128c98
https://doi.org/10.1205/026387604323050155
https://doi.org/10.1205/026387604323050155
Autor:
Martin Horsch, Jadran Vrabec, Thorsten Merker, Hans Hasse, Yow-Lin Huang, Martina Heitzig, Thorsten Schnabel
Publikováno v:
High Performance Computing in Science and Engineering '09 ISBN: 9783642046643
A major challenge for molecular modeling consists in optimizing the unlike interaction potentials. A broad study on fluid mixtures [1] recently showed that among the variety of combination rules that were proposed in the past, none is clearly superio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ca25c339e2a9cea2bf7e6e982f8aa34c
https://doi.org/10.1007/978-3-642-04665-0_33
https://doi.org/10.1007/978-3-642-04665-0_33
Publikováno v:
High Performance Computing in Science and Engineering ’06 ISBN: 9783540361657
In chemical engineering, the knowledge on thermopysical properties of pure fluids and mixtures is important for the design and optimization of processes. As the experimental data base is often narrow, methods are required that predict thermophysical
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9209c795914748aa869af414f137e13d
https://doi.org/10.1007/978-3-540-36183-1_37
https://doi.org/10.1007/978-3-540-36183-1_37
Publikováno v:
High Performance Computing in Science and Engineering’ 05 ISBN: 3540283773
High Performance Computing in Science and Engineering
High Performance Computing in Science and Engineering
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5f78d64d04fae0714e284df53237c7cc
https://doi.org/10.1007/3-540-29064-8_25
https://doi.org/10.1007/3-540-29064-8_25
Publikováno v:
Chemie Ingenieur Technik. 79:1421-1422
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9ef4216f19ec3d416a43184c5be0fc33
https://doi.org/10.1002/cite.200750014
https://doi.org/10.1002/cite.200750014