화학공학소재연구정보센터
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No. Article
51 Mahkota Dewa Subcritical Water Extraction Process: Experimental and Molecular Dynamics Simulation Study
Hashim NA, Mudalip SKA, Harun N, Man RC, Sulaiman SZ, Arshad ZIM, Shaarani SM, Azmir J
Chemical Engineering & Technology, 42(9), 1747, 2019
52 Influence of electrostatic field on the adsorption of phenol on single-walled carbon nanotubes: A study by molecular dynamics simulation
Zhang QR, Han Y, Wu LC
Chemical Engineering Journal, 363, 278, 2019
53 Effect of carbon chain structure on the phthalic acid esters (PAEs) adsorption mechanism by mesoporous cellulose biochar
Chen Q, Zheng JW, Yang Q, Dang Z, Zhang LJ
Chemical Engineering Journal, 362, 383, 2019
54 Concentration fluctuation due to reaction-diffusion coupling near an isolated active site on catalyst surfaces
Li YP, Zhao MC, Li CX, Ge W
Chemical Engineering Journal, 373, 744, 2019
55 Biomimetic robust superhydrophobic stainless-steel surfaces with antimicrobial activity and molecular dynamics simulation
Li SY, Liu Y, Zheng ZH, Liu X, Huang HL, Han ZW, Ren LQ
Chemical Engineering Journal, 372, 852, 2019
56 Enhanced oil recovery with CO2/N-2 slug in low permeability reservoir: Molecular dynamics simulation
Fang TM, Wang MH, Gao Y, Zhang YN, Yan YG, Zhang J
Chemical Engineering Science, 197, 204, 2019
57 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
58 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
59 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
60 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