Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Eliseo Marin-Rimoldi"'
Publikováno v:
Encyclopedia of Ionic Liquids ISBN: 9789811067396
Encyclopedia of Ionic Liquids ISBN: 9789813342200
Encyclopedia of Ionic Liquids ISBN: 9789813342200
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::da38d1308b76ba8a4a115b52400b789f
https://doi.org/10.1007/978-981-10-6739-6_14-1
https://doi.org/10.1007/978-981-10-6739-6_14-1
Publikováno v:
Langmuir. 33:9793-9802
We present a newly developed Monte Carlo scheme to predict bulk surfactant concentrations and surface tensions at the air–water interface for various surfactant interfacial coverages. Since the concentration regimes of these systems of interest are
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a6ce4ae02778181477d30bf364c890d1
https://doi.org/10.1021/acs.langmuir.7b02058
https://doi.org/10.1021/acs.langmuir.7b02058
Autor:
Jindal K. Shah, Sandip Khan, Neeraj Rai, Edward J. Maginn, Thomas W. Rosch, Eliseo Marin-Rimoldi, L. L. Romanielo, Brian P. Keene, Brian Yoo, Ryan Gotchy Mullen, Andrew S. Paluch
Publikováno v:
Journal of Computational Chemistry. 38:1727-1739
Cassandra is an open source atomistic Monte Carlo software package that is effective in simulating the thermodynamic properties of fluids and solids. The different features and algorithms used in Cassandra are described, along with implementation det
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1f4bd561a32922b15a2ece0cb03c9264
https://doi.org/10.1002/jcc.24807
https://doi.org/10.1002/jcc.24807
Publikováno v:
Computer Physics Communications. 261:107688
The MolSSI Driver Interface (MDI) Project provides a standardized API for fast, on-the-fly communication between computational molecular sciences codes. This greatly simplifies the process of implementing methods that require the cooperation of multi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::71d2243cfc53f6143a10c1687165c5fb
https://doi.org/10.1016/j.cpc.2020.107688
https://doi.org/10.1016/j.cpc.2020.107688
Publikováno v:
Fluid Phase Equilibria. 407:117-125
Gibbs ensemble Monte Carlo simulations were used to calculate absorption isotherms of water in three imidazolium-based ionic liquids (ILs) with different degrees of hydrophobicity: 1-n-butyl-3-methylimidazolium hexafluorophosphate ([C4mim][PF6]), 1-n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bb388b16cf41f0ae488b8aff25de4ac2
https://doi.org/10.1016/j.fluid.2015.07.007
https://doi.org/10.1016/j.fluid.2015.07.007
Publikováno v:
Industrial & Engineering Chemistry Research. 54:4385-4395
Ionic liquids are being investigated as potential solvents for pre- and post-combustion CO2 capture. In pre-combustion applications, knowledge of the selectivity of CO2 over H2 in high-pressure and high-temperature gas mixtures is crucial. In the pre
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::da54985d7b50d2c13ec9d2a6b06a7563
https://doi.org/10.1021/ie503086z
https://doi.org/10.1021/ie503086z