화학공학소재연구정보센터
검색결과 : 1,087건
No. Article
51 Hydration structures of vanadium/oxovanadium cations in the presence of sulfuric acid: A molecular dynamics simulation study
Zhang N, Yang BY, Huo J, Qi WX, Zhang XP, Ruan XH, Bao JJ, He GH
Chemical Engineering Science, 195, 683, 2019
52 Dissolution of polycyclic aromatic hydrocarbons in subcritical and supercritical Water: A molecular dynamics simulation study
Qu H, Gong JH, Tan XC, Yuan PQ, Cheng ZM, Yuan WK
Chemical Engineering Science, 195, 958, 2019
53 Solvent-mediated morphology selection of the active pharmaceutical ingredient isoniazid: Experimental and simulation studies
Han D, Karmakar T, Bjelobrk Z, Gong J, Parrinello M
Chemical Engineering Science, 204, 320, 2019
54 Energy analysis of a surfactant micelle's deformation by coarse-grained molecular dynamics simulations
Zhou WJ, Liu F, Liu DJ, Chen F, Wei JJ
Chemical Engineering Science, 202, 138, 2019
55 Effects of cosolvent on dissolution behaviors of PVAc in supercritical CO2: A molecular dynamics study
Gong HJ, Zhang H, Xu L, Li YJ, Dong MZ
Chemical Engineering Science, 206, 22, 2019
56 Towards an understanding of the microstructure and interfacial properties of the ionic liquid/sulfuric acid catalyst in liquid-liquid reactions
Zheng WZ, Cao P, Sun WZ, Zhao L
Chemical Engineering Science, 205, 287, 2019
57 Molecular dynamics characterization of the water-methane, ethane, and propane gas mixture interfaces
Mirzaeifard S, Servio P, Rey AD
Chemical Engineering Science, 208, 2019
58 A permeation model of shale gas in cylindrical-like kerogen pores at geological conditions
Sun JJ, Liu ZP, Cao DP
Chemical Engineering Science, 207, 457, 2019
59 A molecular dynamics simulation study on the inhibition performance controlled by salt concentration
Yan YG, Hou QG, Zhang YN, Zhou LX, Zhang J
Chemical Physics Letters, 715, 335, 2019
60 Effects of temperature, strain rate and molecule length on the deformation of graphene/polyethylene composites: A molecular dynamics simulation
Li JY, Zhao JQ, Ren PJ, Dong H, Meng B, Hu SQ
Chemical Physics Letters, 726, 39, 2019