Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Y. Mauricio Muñoz-Muñoz"'
Autor:
Y. Mauricio Muñoz-Muñoz, Matthias Linnemann, Jadran Vrabec, Elmar Baumhögger, Pavel Anatolyevich Nikolaychuk
Publikováno v:
Journal of Chemical & Engineering Data. 65:1180-1188
Henry’s law constant data for the noble gases helium, neon, argon, krypton, xenon, and radon in the pure solvents water, methanol, ethanol, and propan-2-ol are predicted over a wide temperature range by molecular simulation. Furthermore, gas solubi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bed0a87f6756249cbfd9408ca487ef3f
https://doi.org/10.1021/acs.jced.9b00565
https://doi.org/10.1021/acs.jced.9b00565
Autor:
Matthias Heinen, Jadran Vrabec, Timon Hitz, Gabriela Guevara-Carrion, Claus-Dieter Munz, René Spencer Chatwell, Y. Mauricio Muñoz-Muñoz, Robin Fingerhut
Publikováno v:
High Performance Computing in Science and Engineering '19 ISBN: 9783030667917
We are outlining our most recent findings, covering Kirkwood-Buff integration in ternary mixtures, transport diffusion of a diluted component in supercritical carbon dioxide, molecular dynamics simulations of the classical Riemann problem and the dev
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4b201b719c3a2c892a2e1455a0b42ace
https://doi.org/10.1007/978-3-030-66792-4_38
https://doi.org/10.1007/978-3-030-66792-4_38
Publikováno v:
Physical Chemistry Chemical Physics. 20:28185-28192
Nuclear magnetic resonance (NMR) spectroscopy is a well-established technique for the measurement of intra-diffusion coefficients. Recently, such information has been used as a basis of predictive models to extrapolate to the Fick diffusion coefficie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a23d3e0adbdd164e4fa75b17fe993d65
https://doi.org/10.1039/c8cp05539d
https://doi.org/10.1039/c8cp05539d
Publikováno v:
The Journal of Physical Chemistry B. 121:5374-5384
The three binary mixtures cyclohexane + benzene, cyclohexanol + phenol, and cyclohexylamine + aniline exhibit qualitatively different vapor-liquid phase behavior, that is, azeotropic with a pressure maximum, azeotropic with a pressure minimum, and ze
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4e4863af6faf408aa29a76aee9cfe2c9
https://doi.org/10.1021/acs.jpcb.7b02494
https://doi.org/10.1021/acs.jpcb.7b02494
Autor:
Jadran Vrabec, Andreas Köster, Matthias Heinen, Robin Fingerhut, Tatjana Janzen, Y. Mauricio Muñoz-Muñoz
Publikováno v:
High Performance Computing in Science and Engineering ' 18 ISBN: 9783030133245
To gain physical insight into the behavior of fluids on a microscopic level as well as to broaden the data base for thermophysical properties especially for mixtures, molecular modeling and simulation is utilized in this work. Various methods and app
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cdeb6d0707ba11c03b54d2c94cca2c98
Publikováno v:
The journal of physical chemistry. B. 122(37)
The hydrogen bonding structure of the mixture propan-2-ol + water is analyzed at ambient conditions of temperature and pressure with molecular modeling and simulation techniques. A new force field for propan-2-ol is developed for this purpose on the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6daca6d2567621ccca935ee5a7e6cab2
https://pubmed.ncbi.nlm.nih.gov/30134652
https://pubmed.ncbi.nlm.nih.gov/30134652
Publikováno v:
Fluid Phase Equilibria. 403:104-113
Combined chemical and vapor–liquid equilibrium (ChVLE) data for the ternary system ethylene + water + ethanol are required for the conceptual design of a reactive separation process to obtain ethanol by the hydration of ethylene. Due to the absence
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3b468e4aa03ea55e3f0616497c96351e
https://doi.org/10.1016/j.fluid.2015.06.011
https://doi.org/10.1016/j.fluid.2015.06.011
Autor:
Jadran Vrabec, Matthias Linnemann, Elmar Baumhögger, Y. Mauricio Muñoz-Muñoz, Pavel Anatolyevich Nikolaychuk
Publikováno v:
Chemistry Letters. 46:990-991
An experimental and computational study on the solubility of argon in propan-2-ol at high temperatures and pressures was performed. The following values of the Henry’s law constant for the solution of argon in propan-2-ol were obtained: 58 ± 3 MPa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c832083cebc5525703b006f0dca2ebab
https://doi.org/10.1246/cl.170221
https://doi.org/10.1246/cl.170221
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