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Non-equilibrium model for catalytic distillation process
WANG Feng, ZHAO Ning, LI Junping, XIAO Fukui, WEI Wei, SUN Yuhan
Frontiers of Chemical Science and Engineering 2008, Volume 2, Issue 4, Pages 379-384 doi: 10.1007/s11705-008-0071-7
Yang Song, Mingjie Wei, Fang Xu, Yong Wang
Engineering 2020, Volume 6, Issue 5, Pages 577-584 doi: 10.1016/j.eng.2020.03.008
Keywords: Transport resistance Reverse osmosis Non-equilibrium molecular dynamics Water molecule affinity Modeling
Molecular dynamics simulation of diffusivity
LIU Juanfang, ZENG Danling, LI Qin, GAO Hong
Frontiers in Energy 2008, Volume 2, Issue 3, Pages 359-362 doi: 10.1007/s11708-008-0039-9
Keywords: diffusivity Equilibrium molecular influence potential
Lin ZHANG, Yan SUN
Frontiers of Chemical Science and Engineering 2013, Volume 7, Issue 4, Pages 456-463 doi: 10.1007/s11705-013-1357-y
Keywords: adsorption desorption irreversibility protein conformational transition molecular dynamics simulation
Frontiers of Mechanical Engineering 2021, Volume 16, Issue 3, Pages 570-579 doi: 10.1007/s11465-021-0642-6
Keywords: silicon ReaxFF molecular dynamics friction damage
Frontiers of Structural and Civil Engineering 2021, Volume 15, Issue 5, Pages 1261-1276 doi: 10.1007/s11709-021-0761-5
Keywords: SBS asphalt oxidative aging asphalt hardening ReaxFF molecular dynamics
Mohammad SALAVATI, Arvin MOJAHEDIN, Ali Hossein Nezhad SHIRAZI
Frontiers of Structural and Civil Engineering 2020, Volume 14, Issue 3, Pages 623-631 doi: 10.1007/s11709-020-0616-5
Keywords: hexagonal boron-nitride mechanical properties crack notch point defects molecular dynamics
Frontiers of Environmental Science & Engineering 2023, Volume 17, Issue 11, doi: 10.1007/s11783-023-1740-y
● MD simulations unveil the transport mechanism for TFP-water mixture through CNTs.
Keywords: Fluorinated alcohol Carbon nanotube Molecular simulation Fluorine modified
Evaluation of the compatibility between rubber and asphalt based on molecular dynamics simulation
Fucheng GUO, Jiupeng ZHANG, Jianzhong PEI, Weisi MA, Zhuang HU, Yongsheng GUAN
Frontiers of Structural and Civil Engineering 2020, Volume 14, Issue 2, Pages 435-445 doi: 10.1007/s11709-019-0603-x
Keywords: rubber asphalt compatibility rubber content molecular dynamics simulation
Yue Yu, Jie He
Frontiers of Medicine 2013, Volume 7, Issue 2, Pages 157-171 doi: 10.1007/s11684-013-0272-4
Non-small-cell lung cancer (NSCLC) is the most common cause of premature death among the malignantMolecular biology techniques, particularly gene expression microarrays, proteomics, and next-generationsequencing, have recently been developed to facilitate effectively its molecular classification.The underlying etiology, pathogenesis, therapeutics, and prognosis of NSCLC based on an improved molecularThis review focuses on the molecular classification of NSCLC based on gene expression microarray technology
Keywords: non-small-cell lung cancer molecular typing individualized medicine molecular-targeted therapy gene expression
Tianwei TAN, Peiyong QIN,
Frontiers of Chemical Science and Engineering 2010, Volume 4, Issue 3, Pages 241-241 doi: 10.1007/s11705-009-0285-3
Yang Zhou, Phillip Choi
Frontiers of Chemical Science and Engineering 2017, Volume 11, Issue 3, Pages 440-447 doi: 10.1007/s11705-017-1626-2
Keywords: molecular dynamics simulation amphiphilic block copolymer free volume water diffusivity fujita model
Molecular dynamics investigation of mechanical properties of single-layer phagraphene
Ali Hossein Nezhad SHIRAZI
Frontiers of Structural and Civil Engineering 2019, Volume 13, Issue 2, Pages 495-503 doi: 10.1007/s11709-018-0492-4
Keywords: phaqraphene mechanical properties crack propaqation molecular dynamics thermal effects
Molecular dynamics simulation on DNA translocating through MoS
Daohui Zhao, Huang Chen, Yuqing Wang, Bei Li, Chongxiong Duan, Zhixian Li, Libo Li
Frontiers of Chemical Science and Engineering 2021, Volume 15, Issue 4, Pages 922-934 doi: 10.1007/s11705-020-2004-z
Keywords: DNA sequencing MoS2 molecular dynamics simulation nanopore ionic current
Dongliang HU, Jianzhong PEI, Rui LI, Jiupeng ZHANG, Yanshun JIA, Zepeng FAN
Frontiers of Structural and Civil Engineering 2020, Volume 14, Issue 1, Pages 109-122 doi: 10.1007/s11709-019-0579-6
Keywords: crumb rubber modified asphalt surface free energy self-healing interface properties molecular dynamics
Title Author Date Type Operation
Non-equilibrium model for catalytic distillation process
WANG Feng, ZHAO Ning, LI Junping, XIAO Fukui, WEI Wei, SUN Yuhan
Journal Article
Molecular Simulations of Water Transport Resistance in Polyamide RO Membranes: Interfacial and Interior
Yang Song, Mingjie Wei, Fang Xu, Yong Wang
Journal Article
Molecular dynamics simulation of diffusivity
LIU Juanfang, ZENG Danling, LI Qin, GAO Hong
Journal Article
Effect of ligand chain length on hydrophobic charge induction chromatography revealed by molecular dynamics
Lin ZHANG, Yan SUN
Journal Article
Atomistic understanding of interfacial processing mechanism of silicon in water environment: A ReaxFF moleculardynamics simulation
Journal Article
styrene-butadiene-styrene copolymer on the aging resistance of asphalt: An atomistic understanding from reactive moleculardynamics simulations
Journal Article
Mechanical responses of pristine and defective hexagonal boron-nitride nanosheets: A molecular dynamics
Mohammad SALAVATI, Arvin MOJAHEDIN, Ali Hossein Nezhad SHIRAZI
Journal Article
Enhanced separation of tetrafluoropropanol from water via carbon nanotubes membranes: insights from moleculardynamics simulations
Journal Article
Evaluation of the compatibility between rubber and asphalt based on molecular dynamics simulation
Fucheng GUO, Jiupeng ZHANG, Jianzhong PEI, Weisi MA, Zhuang HU, Yongsheng GUAN
Journal Article
Molecular classification of non-small-cell lung cancer: diagnosis, individualized treatment, and prognosis
Yue Yu, Jie He
Journal Article
Introduction to the special section on the Symposium on Computational Fluid Dynamics and Molecular Simulation
Tianwei TAN, Peiyong QIN,
Journal Article
Molecular dynamics study of water diffusion in an amphiphilic block copolymer with large difference in
Yang Zhou, Phillip Choi
Journal Article
Molecular dynamics investigation of mechanical properties of single-layer phagraphene
Ali Hossein Nezhad SHIRAZI
Journal Article
Molecular dynamics simulation on DNA translocating through MoS
Daohui Zhao, Huang Chen, Yuqing Wang, Bei Li, Chongxiong Duan, Zhixian Li, Libo Li
Journal Article