Monte Carlo simulations of phase behavior and microscopic structure for supercritical CO2 and thiophene mixtures

2014 ◽  
Vol 95 ◽  
pp. 214-221 ◽  
Author(s):  
Yongping Zeng ◽  
Huan Li ◽  
Peyman Z. Moghadam ◽  
Yueyang Xu ◽  
Junmei Hu ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Phase Behavior ◽  
Supercritical Co2 ◽  
Microscopic Structure

Orientational phase behavior of polymer-grafted nanocubes

Nanoscale ◽  
2019 ◽  
Vol 11 (34) ◽  
pp. 15939-15957 ◽  
Author(s):  
Brian Hyun-jong Lee ◽  
Gaurav Arya
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Phase Behavior ◽  
Material Properties ◽  
Scaling Relations

Monte Carlo simulations and analytical scaling relations are used to identify the stable interparticle configurations (phases) exhibited by polymer-grafted nanocubes and to study their phase behavior as a function of material properties.

Langmuir monolayers with internal dipoles: Understanding phase behavior using Monte Carlo simulations

2010 ◽  
Vol 132 (1) ◽  
pp. 014703 ◽  
Author(s):  
Christopher B. George ◽  
Mark A. Ratner ◽  
Igal Szleifer
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Phase Behavior ◽  
Langmuir Monolayers

scholarly journals Confinement-Mediated Phase Behavior of Hydrocarbon Fluids: Insights from Monte Carlo Simulations

Langmuir ◽  
2020 ◽  
Vol 36 (26) ◽  
pp. 7277-7288
Author(s):  
Jiaoyan Li ◽  
Qi Rao ◽  
Yidong Xia ◽  
Michael Hoepfner ◽  
Milind D. Deo
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Phase Behavior

scholarly journals Phase Behavior of Elemental Aluminum Using Monte Carlo Simulations

2006 ◽  
Vol 110 (51) ◽  
pp. 26135-26142 ◽  
Author(s):  
Divesh Bhatt ◽  
Nathan E. Schultz ◽  
Ahren W. Jasper ◽  
J. Ilja Siepmann ◽  
Donald G. Truhlar
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Phase Behavior

Phase Behavior and Solubilization in Surfactant−Solute−Solvent Systems by Monte Carlo Simulations

Langmuir ◽  
1998 ◽  
Vol 14 (10) ◽  
pp. 2684-2692 ◽  
Author(s):  
Sameer K. Talsania ◽  
L. A. Rodríguez-Guadarrama ◽  
Kishore K. Mohanty ◽  
Raj Rajagopalan
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Phase Behavior ◽  
Solvent Systems
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