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| 1 | 真实溶剂似导体屏蔽模型(COSMO-RS)显示文摘真实溶剂似导体屏蔽模型(COSMO-RS,Conductor-likescreening model for real solvents)是Klamt等在连续介质溶剂化模式COSMO的基础上,结合统计力学方法发展起来的定量计算溶剂化现象的新方法。本文简单介绍了COSMO-RS的基本原理、概念,以及应用该模式的基本步骤。综述了COSMO-RS应用于离子性化合物、聚合物溶液体系、高温高压体系以及预测复杂生物体系的分配系数和药物设计的进展。评述了简化分子表面屏蔽电荷分布计算的COSMOfrag和GC-COSMO(group contribution COSMO)方法,对不同版本的COSMO-RS之间以及其与基团贡献方法的对比研究也作了详细的讨论,并指出了COSMO-RS的不足之处和进一步发展该模式的建议。 | 牟天成 Jürgen Gmehling | 2008 | 化学进展2008，20，10： | 14 |
| 2 | 显示文摘 | Fredenslund A Gmehling B Michelsen M L | 1977 | Ind Eng Chem Proc Des Dev1977，16，4： | 1 |
| 3 | Vapor-liquid equilibrium data collection, organic hydroxyl compounds显示文摘 | Gmehling J Onken U | 1977 | DECHEMA Chemistry Data Series1977，1，2： | 1 |
| 4 | A modified UNIFAC model 2:Present parameter matrix and results for different thermodynamic properties显示文摘 | GMEHLING J LI Ji-ding MARTIN S | 1993 | Ind Eng Chem Res1993，32，1： | 1 |
| 5 | Measurement and correlation of vapor liquid equilibria and excess enthalpies of binary systems containing ionic liquids and hydrocarbons显示文摘 | Ryo Kato Michael Krummen Jürgen Gmehling | | 0，，： | 1 |
| 6 | Vapor-liquid equilibrium data collection显示文摘 | Gmehling J Onken U Grenzheuser P | 1982 | Dechema1982，1，5： | 1 |
| 7 | Isothermal vapor-liquid equilibrium data for the ethanol + ethyl acetate + sodium iodide system at five temperatures 显示文摘 | Yan W D Rose C Gmehling J | 1997 | Journal of Chemical Engineering Data1997，42，3： | 1 |
| 8 | Thermodynamic aspects of reformulation of automotive fuels显示文摘 | ZUDKEVITCH D MURTHY A K S GMEHLING J | 1995 | Hydrocarbon Processing1995，74，6： | 1 |
| 9 | Vapor-liquid equilibrium data collection, organic hydroxyl compounds显示文摘 | Gmehling J Onken U | 1977 | DECHEMA Chemistry Data Series1977，1，2： | 1 |
| 10 | Influence of Water on the Vapor-liquid Equilibria, Activity Coefficients at Infinite Dilution and Enthalpies of Mixing for Mixtures of N-methyl-2-pyrrolidone with C5 or C6 Hydrocarbons显示文摘 | Kai Fischer Jurgen Gmehling | 2004 | Fluid Phase Equilibria2004，218，： | 1 |
| 11 | Reaction kinetics and chemical equilibrium of homogeneously and heterogeneously catalyzed acetic acid esterification with methanol and methyl acetate hydrolysis 显示文摘 | Popken T Gotze L Gmehling J | 2000 | Ind Eng Chem Res2000，39，： | 1 |
| 12 | A data bank for azeotropic data-status and applications显示文摘 | Jürgen Gmehling Jochen Menke J(o)rg Krafczyk Kai Fischer | 1995 | Fluid Phase Equilibria1995，103，： | 1 |
| 13 | Compressed Liquid Densities of Methyl Tert-Butyl Ether (MTBE), Ethyl Tert-Butyl Ether (ETBE), and Diisopropyl Ether (DIPE) 显示文摘 | Ihmels E C Gmehling J | 2002 | Journal of Chemical & Engineering Data2002，47，5： | 1 |
| 14 | Synthesis and Hydrolysis of Methyl Acetate by Reactive Distillation Using Structured Catalytic Packings: Experiments and Simulation 显示文摘 | POPKEN T STEINIGEWEG S GMEHLING J | 2001 | Ind Eng Chem Res2001，40，6： | 1 |
| 15 | Synthesis of distillation process using thermodynamic models and the dortmund data bank 显示文摘 | Gmehling J Mollmann C | 1998 | Industrial Engineering ChemicalResearch1998，37，8： | 1 |
| 16 | Measurement and prediction of vapor-liquid equilibria of ternary systems containing ionic liquids显示文摘 | Doker M Gmehling J | 2005 | Fluid Phase Equilibria2005，227，2： | 1 |
| 17 | n-Butyl acetate synthesis via reactive distillation: thermodynamic aspects, reaction kinetics, pilot-plant experiments, and simulation studies显示文摘 | Steinigeweg S Gmehling J | 2002 | Industrial & engineering chemistry research2002，41，22： | 1 |
| 18 | A modified unifae mod-e1:2 presentparameter matrix and resuhs for different thermodynamic properties 显示文摘 | Gmehling J Li J D Sehiller M | 1993 | Ind Eng Chem Res1993，32，1： | 1 |
| 19 | Reactive kinetics and chemical equilibrium of homogenously and methyl acetate hydrolysis 显示文摘 | Popken T Gotze L Gmehling J | 2000 | Ind Eng Chem Res2000，39，： | 1 |
| 20 | n-Butyl acetate synthesis via reactive distillation : Thermodynamic aspects, reaction kinetics, pilot-plant experiments, and simulation studies 显示文摘 | Steinigeweg S Gmehling J | 2002 | Industrial & Engineering Chemistry Research2002，41，： | 1 |
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