화학공학소재연구정보센터
검색결과 : 155건
No. Article
1 Self-diffusion coefficients of methane/n-hexane mixtures at high pressures: An evaluation of the finite-size effect and a comparison of force fields
dos Santos TJP, Abreu CRA, Horta BAC, Tavares FW
Journal of Supercritical Fluids, 155, 2020
2 Thermodynamic, structural, and mechanical properties of fluoropolymers from molecular dynamics simulation: Comparison of force fields
Tamir E, Sidess A, Srebnik S
Chemical Engineering Science, 205, 332, 2019
3 Atomistic and coarse-grained modeling of polyethyleneimine
Beu TA, Ailenei AE, Farcas A
Chemical Physics Letters, 714, 94, 2019
4 Experimental and molecular dynamics study of the ionic conductivity in aqueous LiCl electrolytes
Yllo A, Zhang C
Chemical Physics Letters, 729, 6, 2019
5 Development of force fields for binary systems: Application to a dimethylsulfoxide (DMSO) - Oxygen mixture
Belletti GD, Schulte E, Colombo E, Schmickler W, Quaino P
Chemical Physics Letters, 735, 2019
6 Molecular simulation studies on refrigerants past - present - future
Raabe G
Fluid Phase Equilibria, 485, 190, 2019
7 Thermodynamics of supersaturated steam: Towards an equation of state
Nezbeda I, Moucka F
Fluid Phase Equilibria, 484, 114, 2019
8 Improvements and limitations of Mie lambda-6 potential for prediction of saturated and compressed liquid viscosity
Messerly RA, Anderson MC, Razavi SM, Elliott JR
Fluid Phase Equilibria, 483, 101, 2019
9 Evaluation of the predictive capability of ionic liquid force fields for CH4, CO2, NH3, and SO2 phase equilibria
Kapoor U, Banerjee A, Shah JK
Fluid Phase Equilibria, 492, 161, 2019
10 Systematic parameterization procedure to develop force fields for molecular fluids using explicit water
Nunez-Rojas E, Garcia-Melgarejo V, de la Luz AP, Alejandre J
Fluid Phase Equilibria, 490, 1, 2019