成果/Result
- Density and chain conformation profiles of square-well chains confined in a slit by density-functional theory被引量：51收藏
- 作者：Ye, Zhencheng Cai, Jun Liu, Honglai Hu, Ying
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：JOURNAL OF CHEMICAL PHYSICS 2005
- 关键词：Computer simulation - Conformations - Equations of state - Free energy - Functions - Molecular structure
- Density functional theory of homopolymer mixtures confined in a slit被引量：29收藏
- 作者：Ye, Zhencheng Chen, Houyang Cai, Jun Liu, Honglai Hu, Ying
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol
- 来源：JOURNAL OF CHEMICAL PHYSICS 2006
- 关键词：Approximation theory - Computer simulation - Homopolymerization - Probability density function
- Density functional theory and Monte Carlo simulation of mixtures of hard sphere chains confined in a slit被引量：21收藏
- 作者：Cai, Jun Liu, Honglai Hu, Ying
- 机构：E China Univ Sci & Technol
- 来源：FLUID PHASE EQUILIBRIA 2002
- 关键词：density functional theory hard sphere chain slit mixture
- Density functional theory of square-well chain mixtures near solid surface被引量：21收藏
- 作者：Zhang, Shuling Cai, Jun Liu, Honglai Hu, Ying
- 机构：E China Univ Sci & Technol
- 来源：MOLECULAR SIMULATION 2004
- 关键词：density functional theory square-well chain mixture reference interaction site model Helmholtz energy
- Improved renormalization group theory for critical asymmetry of fluids被引量：20收藏
- 作者：Wang, Long Zhao, Wei Wu, Liang Li, Liyan Cai, Jun
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF CHEMICAL PHYSICS 2013
- 关键词：Group theory - Statistical mechanics - Ising model - Equations of state - Liquids - Sulfur hexafluoride - Binary mixtures - Integral equations
- Monte Carlo simulation of vapor-liquid equilibrium and critical asymmetry of square-well dimer fluid被引量：12收藏
- 作者：Li, Liyan Tang, Kaiwei Wu, Liang Zhao, Wei Cai, Jun
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF CHEMICAL PHYSICS 2012
- 关键词：Intelligent systems - Monte Carlo methods - Binary mixtures
- An explicit molecular thermodynamic model for polyelectrolyte solutions被引量：11收藏
- 作者：Cai, J Liu, HL Hu, Y
- 机构：E China Univ Sci & Technol
- 来源：FLUID PHASE EQUILIBRIA 2000
- 关键词：polyelectrolyte solution thermodynamic properties models
- Vapor-liquid critical properties of multi-component fluid mixture被引量：10收藏
- 作者：Cai, Jun Qiu, Deling Zhang, Luning Hu, Ying
- 机构：E China Univ Sci & Technol
- 来源：FLUID PHASE EQUILIBRIA 2006
- 关键词：renormalization group critical multi-component fluid mixture
- Critical asymmetry in renormalization group theory for fluids被引量：9收藏
- 作者：Zhao, Wei Wu, Liang Wang, Long Li, Liyan Cai, Jun
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF CHEMICAL PHYSICS 2013
- 关键词：Paraffins - Statistical mechanics - Dimers - Iterative methods - Phase equilibria - Group theory
- Adsorption of copolymers in a selective nanoslit: A hybrid density functional theory被引量：9收藏
- 作者：Chen, Houyang Cai, Jun Ye, Zhencheng Peng, Changjun Liu, Honglai Hu, Ying Jiang, Jianwen
- 机构：E China Univ Sci & Technol;E China Univ Sci & Technol;Natl Univ Singapore
- 来源：JOURNAL OF PHYSICAL CHEMISTRY B 2008
- 关键词：Density functional theory - Block copolymers - Chains - Free energy - Nanostructures
- Vapor-liquid critical properties of multi-component mixtures containing carbon dioxide and n-alkanes被引量：8收藏
- 作者：Qiu, Delin Fu, Jinyan Cai, Jun Peng, Changjun Liu, Honglai Hu, Ying
- 机构：E China Univ Sci & Technol
- 来源：FLUID PHASE EQUILIBRIA 2006
- 关键词：multi-component mixture carbon dioxide alkane critical properties
- Renormalization Group Approach to Binary Liquid-Liquid Equilibria被引量：7收藏
- 作者：Yu, Fan Cai, Jun
- 机构：East China Univ Sci & Technol
- 来源：INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 2020
- 关键词：Statistical mechanics - Binary alloys - Lattice theory - Group theory - Phase equilibria - Binary mixtures
- Critical properties of polydisperse fluid mixtures from an equation of state被引量：7收藏
- 作者：Cai, Jun Liu, Honlai Hu, Ying Prausnitz, John M.
- 机构：E China Univ Sci & Technol;Univ Calif Berkeley;Univ Calif Berkeley
- 来源：FLUID PHASE EQUILIBRIA 2000
- 关键词：continuous thermodynamics critical point spinodal equation of state
- Vapor-liquid equilibrium and critical asymmetry of square well and short square well chain fluids被引量：6收藏
- 作者：Li, Liyan Sun, Fangfang Chen, Zhitong Wang, Long Cai, Jun
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF CHEMICAL PHYSICS 2014
- 关键词：Chains - Binary mixtures - Monte Carlo methods - Phase equilibria - Intelligent systems
- 方阱链流体在固液界面分布的密度泛函理论研究被引量：6收藏
- 作者：叶贞成 蔡钧 张书令 刘洪来 胡英
- 机构：华东理工大学化学系
- 来源：《物理学报》 2005
- 关键词：密度泛函理论 非均匀流体 密度分布 固液界面 方阱链 统计缔合流体理论 密度泛函 理论研究 链长 面分布 状态方程 近似计算
- 摘要：应用Yethiraj的加权密度近似泛函理论研究平板狭缝中方阱链流体的密度分布,系统的Helmholtz自由能泛函分为理想气体的贡献利剩余贡献两部分,其中剩余贡献部分分别采用刘洪来等人建立的基于空穴相关函数的方阱链流体状态...
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- Monte Carlo simulations of density profiles for hard-sphere chain fluids confined between surfaces被引量：6收藏
- 作者：Wang, B. Cai, J. Liu, H. Hu, Y.
- 机构：E China Univ Sci & Technol
- 来源：CHINESE JOURNAL OF CHEMICAL ENGINEERING 2001
- 关键词：molecular simulation Monte Carlo method hard-sphere chain fluid density profile density functional theory compressibility factor
- A self-consistent renormalisation group theory for critical asymmetry of one-component fluids被引量：5收藏
- 作者：Zhou, Zhiyu Cai, Jun Hu, Ying
- 机构：East China Univ Sci & Technol
- 来源：MOLECULAR PHYSICS 2022
- 关键词：Critical asymmetry complete scaling renormalisation group equation of state isochoric heat capacity
- 方阱链状分子临界性质的Monte Carlo模拟被引量：3收藏
- 作者：李丽妍 孙方方 陈志同 蔡钧
- 机构：华东理工大学化学系
- 来源：《物理化学学报》 2013
- 关键词：临界点 巨正则系综 Histogram reweighting 完整标度 连续构型偏倚
- 摘要：在巨正则系综下对阱宽为λ=1.5,链长分别为4、8、16的方阱链状流体实施Monte Carlo模拟,采用建立在完整标度基础上的无偏的Q-参数方法,通过histogram reweighting技术以及有限尺寸标度理论得...
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- Simplified critical-point criteria for some multicomponent systems被引量：2收藏
- 作者：Cai, Jun Hu, Ying Prausnitz, John M.
- 机构：Univ Calif Berkeley;E China Univ Sci & Technol;Univ Calif Berkeley
- 来源：CHEMICAL ENGINEERING SCIENCE 2010
- 关键词：Continuous thermodynamics Critical property Critical-point criteria Polydisperse mixture
- Molecular thermodynamic model for polyelectrolyte solutions with added salts被引量：2收藏
- 作者：Zhang, Bo Cai, Jun Liu, Honglai Hu, Ying
- 机构：E China Univ Sci & Technol
- 来源：CHINESE JOURNAL OF CHEMICAL ENGINEERING 2002
- 关键词：polyelectrolyte solution molecular thermodynamic model activity coefficient osmotic coefficient
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- 方阱二聚物相平衡性质的计算机模拟被引量：1收藏
- 作者：李丽妍 唐开伟 蔡钧
- 机构：华东理工大学化学系
- 来源：《化学学报》 2011
- 关键词：MonteCarlo方法 方阱二聚物 临界性质 气液相平衡
- 摘要：在巨正则系综下,采用Monte Carlo方法模拟了阱宽为1.5的方阱二聚物的临界性质,利用完整标度结合histogram reweighting技术以及有限尺寸标度外推得到该流体的临界温度T c*=1.5495,临界密...
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- Application of the renormalization group theory for critical asymmetry to surface criticality of one-component fluids被引量：1收藏
- 作者：Zhou, Zhiyu Cai, Jun Hu, Ying
- 机构：East China Univ Sci & Technol
- 来源：FLUID PHASE EQUILIBRIA 2021
- 关键词：Critical asymmetry Complete scaling Renormalization group Mean-field theory Surface tension Tolman length
- Molecular thermodynamic model of polyelectrolyte solutions without adding salt被引量：1收藏
- 作者：Cai, J Liu, HL Hu, Y
- 机构：E China Univ Sci & Technol
- 来源：CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 2000
- 关键词：polyelectrolyte molecular thermodynamics sticky osmotic coefficient activity coefficient
- White流体重整化群理论的标度性质被引量：1收藏
- 作者：吴量 蔡钧
- 机构：华东理工大学化学系
- 来源：《化学学报》 2009
- 关键词：重整化群理论 平均场状态方程 汽液相平衡 临界非对称
- 摘要：平均场状态方程结合重整化群理论的方法能预测流体的临界性质以及远离临界点的热力学性质.利用经典的参数型状态方程结合White的重整化过程计算了CO2以及多种正构烷烃(C1～C7)的汽液相平衡热力学性质,并在此基础上讨论了真...
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- Fluids of hard-spheres with two sticky thin layers, liquid-liquid transition for pure substances被引量：0收藏
- 作者：Meng, S. Cai, J. Liu, H. Hu, Y.
- 机构：E China Univ Sci & Technol
- 来源：JOURNAL OF CHEMICAL PHYSICS 2001
- 关键词：Adhesion - Approximation theory - Correlation theory - Equations of state - High pressure effects - Integral equations - Phase equilibria - Phase transitions - Thin films
