Influences of van der waals volume of substitute groups on CO2permselectivity of polyimide-A molecular simulation study

2014 ◽  
Vol 131 (22) ◽  
pp. n/a-n/a ◽  
Author(s):  
Fei Nie ◽  
Gaohong He ◽  
Yuanfa Liu ◽  
Wei Zhao ◽  
Jia Ju
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Van Der Waals ◽  
Van Der Waals Volume

Effects of the furan ring in epoxy resin on the thermomechanical properties of highly cross-linked epoxy networks: a molecular simulation study

RSC Advances ◽  
2016 ◽  
Vol 6 (1) ◽  
pp. 769-777 ◽  
Author(s):  
Kai Li ◽  
Ni Huo ◽  
Xinping Liu ◽  
Jue Cheng ◽  
Junying Zhang
Keyword(s):  
Epoxy Resin ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Furan Ring ◽  
Van Der Waals ◽  
Thermomechanical Properties ◽  
Van Der Waals Interactions ◽  
Epoxy Network ◽  
Epoxy Networks

Higher van der Waals interactions arising from the furan ring leads to improved thermomechanical properties of a cross-linked epoxy network.

Screening effect of monolayer van der Waals crystals on surface deicing: a molecular simulation study

2020 ◽  
Vol 22 (47) ◽  
pp. 27873-27881
Author(s):  
Yue Wang ◽  
Yufeng Guo ◽  
Wanlin Guo
Keyword(s):  
Boron Nitride ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Hexagonal Boron Nitride ◽  
Van Der Waals ◽  
Monolayer Graphene ◽  
Screening Effect ◽  
Nitride Coatings

Significant screening effect of monolayer graphene and hexagonal boron nitride coatings on surface deicing of superhydrophilic and superhydrophobic crystals.

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

scholarly journals Insight into the origin of SARS-CoV-2 through structural analysis of receptor recognition: a molecular simulation study

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8718-8729
Author(s):  
Jixue Sun ◽  
Meijiang Liu ◽  
Na Yang
Keyword(s):  
Molecular Dynamics ◽  
Structural Analysis ◽  
Molecular Dynamics Simulations ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Receptor Recognition ◽  
Dynamics Simulations ◽  
Insight Into

The origin of SARS-CoV-2 through structural analysis of receptor recognition was investigated by molecular dynamics simulations.

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