搜索结果: 1-3 共查到“Molecular simulation”相关记录3条 . 查询时间(0.076 秒)
Molecular simulation and optimization on the microporous structure in carbon molecular sieve membrane for CO2/CH4 separation
Carbon molecular sieve membrane Gas separation Molecular simulation Pore size Structure optimization
2023/6/19
Zigzag-type pore model with a modified structure was proposed to evaluate the effect of micropore structure on the gas separation performance of carbon molecular sieve membranes (CMSM). Molecular simu...
A molecular simulation analysis of producing monatomic carbon chains by stretching ultranarrow graphene nanoribbons
molecular simulation analysis monatomic carbon chains ultranarrow graphene nanoribbons Computational Physics
2012/4/20
Atomistic simulations were utilized to develop fundamental insights regarding the elongation process starting from ultranarrow graphene nanoribbons (GNRs) and resulting in monatomic carbon chains (MAC...
Comparison of perturbation theory and mean spherical approximation based on molecular simulation data
perturbation theory mean spherical approximation molecular simulation
2009/4/27
A comprehensive study on various internal energies for the dipolar hard sphere fluids, including Stockmayer fluids, the mixtures of Lennard-Jones and Stockmayer and Stockmayer fluids and the electro...