Reactive first principles Monte Carlo simulations of nitrogen/oxygen and hydrogen sulfide/carbon dioxide mixtures

被引：0

作者：

Fetisov, Evgenii ^{[1
]}

Shah, Mansi ^{[1
,3
]}

Kuo, I-Feng ^{[4
]}

Knight, Christopher ^{[2
]}

Siepmann, J. Ilja ^{[1
,3
]}

机构：

[1] Univ Minnesota, Chem, Minneapolis, MN USA

[2] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA

[3] Univ Minnesota, Chem Engn & Mat Sci, Minneapolis, MN USA

[4] Lawrence Livermore Natl Lab, Livermore, CA USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2017年 / 253卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

217

引用

页数：1

共 50 条

[31] Comparison of path integral Monte Carlo simulations of helium, carbon, nitrogen, oxygen, water, neon, and silicon plasmas
Driver, K. P.
Soubiran, Francois
Zhang, Shuai
Militzer, B.
HIGH ENERGY DENSITY PHYSICS, 2017, 23 : 81 - 89
[32] Phase Diagram of Methane and Carbon Dioxide Hydrates Computed by Monte Carlo Simulations
Waage, Magnus H.
Vlugt, Thijs J. H.
Kjelstrup, Signe
JOURNAL OF PHYSICAL CHEMISTRY B, 2017, 121 (30): : 7336 - 7350
[33] Monte Carlo simulations of polymer-carbon dioxide phase eouilibria.
Wick, CD
Siepmann, JI
Theodorou, DN
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U775 - U775
[34] DETERMINATION OF PHASE-EQUILIBRIUM CONSTANTS OF MIXTURES OF HYDROCARBONS WITH CARBON-DIOXIDE, HYDROGEN-SULFIDE, AND NITROGEN
STOLYAROV, AA
JOURNAL OF APPLIED CHEMISTRY OF THE USSR, 1975, 48 (01): : 209 - 211
[35] Selectivities for binary mixtures of hydrogen/methane and hydrogen/carbon dioxide in silicalite and ETS-10 by Grand Canonical Monte Carlo techniques
Gallo, Marco
Nenoff, Tina M.
Mitchell, Martha C.
FLUID PHASE EQUILIBRIA, 2006, 247 (1-2) : 135 - 142
[36] Gas hydrate formation from hydrogen/carbon dioxide and nitrogen/carbon dioxide gas mixtures
Linga, Praveen
Kumar, Rajnish
Englezos, Peter
CHEMICAL ENGINEERING SCIENCE, 2007, 62 (16) : 4268 - 4276
[37] SOLUBILITY OF SOLID CARBON DIOXIDE IN COMPRESSED HYDROGEN AND IN NITROGEN-HYDROGEN MIXTURES
IOMTEV, MB
MOROZOV, VS
PAVLYUCH.LV
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY,USSR, 1967, 41 (06): : 709 - &
[38] MONTE-CARLO SIMULATIONS OF ADSORPTION IN A SLITLIKE PORE FOR BINARY-MIXTURES OF BUTANE AND CARBON-DIOXIDE AT SUPERCRITICAL CONDITIONS
OKAYAMA, T
YONEYA, J
NITTA, T
FLUID PHASE EQUILIBRIA, 1995, 104 : 305 - 316
[39] MONTE-CARLO SIMULATIONS OF PHASE-SEPARATION IN CHEMICALLY REACTIVE BINARY-MIXTURES
GLOTZER, SC
STAUFFER, D
JAN, N
PHYSICAL REVIEW LETTERS, 1994, 72 (26) : 4109 - 4112
[40] Monte Carlo simulations of hydrogen adsorption in single-walled carbon nanotubes
J Chem Phys, 12 (4981):

← 1 2 3 4 5 →