Monte Carlo Molecular Simulation of the Hydration of K-Montmorillonite at 353 K and 625 bar

Langmuir ◽  
2004 ◽  
Vol 20 (24) ◽  
pp. 10764-10770 ◽  
Author(s):  
M. de Lourdes Chávez ◽  
Liberto de Pablo ◽  
Juan J. de Pablo
Keyword(s):  
Monte Carlo ◽  
Molecular Simulation

Monte Carlo Molecular Simulation Study of Carbon Dioxide Sequestration into Dry and Wet Calcite Pores Containing Methane

2021 ◽  
Author(s):  
Srikanth Ravipati ◽  
Mirella Simoes Santos ◽  
Ioannis G. Economou ◽  
Amparo Galindo ◽  
George Jackson ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Monte Carlo ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Carbon Dioxide Sequestration

A conservative and a hybrid early rejection schemes for accelerating Monte Carlo molecular simulation

2014 ◽  
Vol 112 (19) ◽  
pp. 2575-2586 ◽  
Author(s):  
Ahmad Kadoura ◽  
Amgad Salama ◽  
Shuyu Sun
Keyword(s):  
Monte Carlo ◽  
Molecular Simulation

Simultaneous Application of the Gradient Theory and Monte Carlo Molecular Simulation for the Investigation of Methane/Water Interfacial Properties

2011 ◽  
Vol 115 (31) ◽  
pp. 9618-9625 ◽  
Author(s):  
Christelle Miqueu ◽  
José M. Míguez ◽  
Manuel M. Piñeiro ◽  
Thomas Lafitte ◽  
Bruno Mendiboure
Keyword(s):  
Monte Carlo ◽  
Molecular Simulation ◽  
Interfacial Properties ◽  
Gradient Theory ◽  
Simultaneous Application

Molecular Simulation of Polymer Crystallization under Chain and Space Confinements

2021 ◽  
Author(s):  
Yongqiang Ming ◽  
Zhiping Zhou ◽  
Tongfan Hao ◽  
Yijing Nie
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Melting Temperature ◽  
Molecular Simulation ◽  
Polymer Crystallization ◽  
Confined Systems ◽  
Simulation Results

The polymer crystallization under chain and space confinements are studied by Monte Carlo simulation. Simulation results show that the crystallinity and melting temperature of confined systems increase with the increase...

Sign in / Sign up

Export Citation Format

Share Document