Isotopic effect on phase equilibria of atomic fluids and their mixtures: A direct comparison between molecular simulation and experiment

2003 ◽  
Vol 119 (8) ◽  
pp. 4458-4467 ◽  
Author(s):  
Ariel A. Chialvo ◽  
Juske Horita
Keyword(s):  
Phase Equilibria ◽  
Molecular Simulation ◽  
Isotopic Effect ◽  
Atomic Fluids ◽  
Simulation And Experiment

Molecular Simulation of Phase Equilibria for Water−Methane and Water−Ethane Mixtures

1998 ◽  
Vol 102 (44) ◽  
pp. 8865-8873 ◽  
Author(s):  
Jeffrey R. Errington ◽  
Georgios C. Boulougouris ◽  
Ioannis G. Economou ◽  
Athanassios Z. Panagiotopoulos ◽  
Doros N. Theodorou
Keyword(s):  
Phase Equilibria ◽  
Molecular Simulation

Neutral Sulfuric Acid–Water Clustering Rates: Bridging the Gap between Molecular Simulation and Experiment

2020 ◽  
Vol 11 (10) ◽  
pp. 4239-4244 ◽  
Author(s):  
Philip T. M. Carlsson ◽  
Steven Celik ◽  
Daniel Becker ◽  
Tinja Olenius ◽  
Jonas Elm ◽  
...  
Keyword(s):  
Sulfuric Acid ◽  
Molecular Simulation ◽  
Acid Water ◽  
Simulation And Experiment

Prediction of phase equilibria and transport properties in carbon-dioxide expanded solvents by molecular simulation

2007 ◽  
Vol 33 (9-10) ◽  
pp. 861-869 ◽  
Author(s):  
Y. Houndonougbo ◽  
K. Kuczera ◽  
B. Subramaniam ◽  
B.B. Laird
Keyword(s):  
Carbon Dioxide ◽  
Phase Equilibria ◽  
Transport Properties ◽  
Molecular Simulation

Development of a force field for molecular simulation of the phase equilibria of perfluoromethylpropyl ether

2002 ◽  
Vol 100 (2) ◽  
pp. 265-272 ◽  
Author(s):  
H.-C. LI ◽  
C. MCCABEL ◽  
S. T. CUI ◽  
P. T. CUMMINGS ◽  
H. D. COCHRAN
Keyword(s):  
Phase Equilibria ◽  
Force Field ◽  
Molecular Simulation
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