Chemical equilibria of multiple-reaction systems from reaction ensemble Monte Carlo simulation and a predictive equation of state: Combined hydrogenation of ethylene and propylene

2006 ◽  
Vol 242 (2) ◽  
pp. 189-203 ◽  
Author(s):  
Javier Carrero-Mantilla ◽  
Mario Llano-Restrepo
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Equation Of State ◽  
Predictive Equation ◽  
Chemical Equilibria ◽  
Reaction Systems ◽  
Ensemble Monte Carlo ◽  
Ensemble Monte Carlo Simulation ◽  
Hydrogenation Of Ethylene

Gibbs-ensemble Monte Carlo simulation of H2−He mixtures

2021 ◽  
Vol 103 (1) ◽  
Author(s):  
Armin Bergermann ◽  
Martin French ◽  
Manuel Schöttler ◽  
Ronald Redmer
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Gibbs Ensemble ◽  
Ensemble Monte Carlo ◽  
Ensemble Monte Carlo Simulation ◽  
Gibbs Ensemble Monte Carlo

Gibbs-ensemble Monte Carlo simulation of H2–H2O mixtures

2021 ◽  
Author(s):  
Armin Bergermann ◽  
Martin French ◽  
Ronald Redmer
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Giant Planets ◽  
Gibbs Ensemble ◽  
Miscibility Gap ◽  
Ensemble Monte Carlo ◽  
Ensemble Monte Carlo Simulation ◽  
Gibbs Ensemble Monte Carlo

The miscibility gap in H2–H2O mixtures is investigated by conducting Gibbs-ensemble Monte Carlo simulations. Our results indicate that H2–H2O immiscibility regions may have a significant impact on the structure and evolution of ice giant planets.

Dense orientationally ordered states of a single semiflexible macromolecule: An expanded ensemble Monte Carlo simulation

2005 ◽  
Vol 122 (17) ◽  
pp. 174907 ◽  
Author(s):  
J. A. Martemyanova ◽  
M. R. Stukan ◽  
V. A. Ivanov ◽  
M. Müller ◽  
W. Paul ◽  
...  
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Ensemble Monte Carlo ◽  
Ensemble Monte Carlo Simulation ◽  
Expanded Ensemble
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