研究领域
1、分子热力学
分子热力学的名称由伯克利加州大学化学工程系普劳斯涅茨教授首先提出,现在已广泛使用在化学工程领域中。它是一门工程科学。它的内容主要是:从分子出发来解释、关联和预测热力学性质,为化工过程的研究、开发和设计服务。它的研究方法在不断发展,当前主要是:综合统计热力学推导、计算机分子模拟和实验测定,构筑能起关联和预测作用的分子热力学模型。早期的工作集中在活度系数关联式和状态方程的研究。当前的热点是嵌段高分子熔体、胶束囊泡和微乳液、合成膜和生物膜、蛋白质水溶液等,它们的特点是具有介观层次的结构。
分子热力学与热力学的区别在于:后者研究宏观性质间的联系,不计微观的分子本性。前者则从分子出发
分子热力学与统计力学的区别在于:后者是纯理论方法。前者则利用计算机分子模拟和实验测定,来弥补纯理论推导之不足,它带有一定的经验性,但与实际符合更好。
2、表面活性剂溶液
表面活性剂分子由亲水基团和疏水基团组成,少量加入即能大大降低溶液表面或液/液界面张力,改变系统的界面状态,从而产生润湿或反润湿、乳化或破乳、起泡或消泡、加溶等作用,在医药、机械、石油、煤炭、生化等领域有广泛的应用。表面活性剂的广泛应用与其在溶液中能形成复杂的聚集体结构有密切关系,是一个典型的具有多尺度结构的复杂系统。寻找、合成新的性能更好的表面活性剂,以及通过不同表面活性剂的复配,利用不同性能的表面活性剂的性能互补或协同作用,达到降低表面活性剂用量和提高产品性能的目的,是表面活性剂研究的主要内容之一。利用表面活性剂溶液能形成不同介观结构的特性,还可以用来作为模板剂制备具有各种复杂介观结构的分子筛、药物缓释胶囊、功能性超细粉末等。
近期论文
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Hu Y., Azevedo, E., Prausnitz, J. M.:The Molecular Basis for Local Compositions in Liquid Mixture Model, Fluid Phase Equilibria,13, 1983: 351-360
Hu Y., Lüdecke, D., Prausnitz, J. M.:Molecular Thermodynamics of Fluid Mixtures Containing Molecules Differing in Size and Potential Energy, Fluid Phase Equilibria,17, 1984: 217-241
Hu Y., Azevedo, E., Lüdecke, D., Prausnitz, J. M.:Thermodynamics of Associations: Henry's Constants for Nonpolar Solutes in Water, Fluid Phase Equilibria,17, 1984: 303-321
Hu Y., Xu Y.N., Prausnitz, J. M.:Molecular Thermodynamics of gas solubility, Fluid Phase Equilibria,23, 1985: 15-40
Xu Y.N., Hu Y.:Prediction for Henry's constants of gases in electrolyte solution, Fluid Phase Equilibria,30, 1986: 221-228
Hu Y., Prausnitz, J. M.:Molecular Thermodynamics of Partially-Ordered Fluids: Microemulsions, A. I. Ch. E. Journal,34(5), 1988: 814-824
Hong J.K., Hu Y.: An equation of state for associated systems, Fluid Phase Equilibria,51(1), 1989: 37-51
Ying X.G., Ye R.Q., Hu Y.:Phase equilibria for complex mixtures, Continuous-thermodynamics method based on spline fit, Fluid Phase Equilibria,53, 1989: 407-414
Zhao J.Y., Hu Y.:Thermodynamics of Associated Solutions : Excess Properties of alcohol-alkane and alcohol-carboxylic acid mixtures, Fluid Phase Equilibria,57(1), 1990: 89-104
Hu Y., Lambert, S. M., Soane, D. S., Prausnitz, J. M.:Double-lattice model for binary polymer solutions, Macromolecules,24(15), 1991: 4356-4363
Hu Y., Liu, H.L., Soane D. S., Prausnitz J. M. Binary liquid-liquid equilibria from a double-lattice model, Fluid Phase Equilibria,67, 1991: 65-86
Hu Y., Ying X.G., Wu D. T., Prausnitz J. M.:Liquid-Liquid Equilibria for Solutions of Polydisperse Polymers. Continuous Thermodynamics for the Close-Packed Lattice Model, Macromolecules,26(25), 1993: 6817-6823
Hu Y., Ying X.G., Wu D. T., Prausnitz J. M.:Molecular thermodynamics of polymer solutions, Fluid Phase Equilibria,83(1), 1993: 289-300
Hu Y., Liu H.L., Prausnitz J. M. A model-free method for calculating vapor-liquid equilibria for multicomponent systems from total-pressure or boiling-point data, Fluid Phase Equilibria,95, 1994: 73-92
Hu Y., Ying X.G., Wu D. T., Prausnitz J. M.:Liquid-liquid equilibria for solutions of polydisperse polymers. Continuous thermodynamics for the lattice-fluid model, Fluid Phase Equilibria,98, 1994: 113-128
Hu Y., Ying X.G., Wu D. T., Prausnitz J. M.:Continuous thermodynamics for polydisperse polymer solutions, Fluid Phase Equilibria,104(1), 1995: 229-252
Hu Y., Liu H.L., Prausnitz J. M. Equation of state for fluids containing chainlike molecules, J. Chem. Phys.,104, 1996: 396-404
Yan Q.L., Liu H.L., Hu Y.? Simulation of phase equilibria for lattice polymers, Macromolecules, 29, 1996: 4066-4071
Hu Y., Liu H.L., Shi Y.H. Molecular Thermodynamic Theory for Polymer Systems I. A Close-Packed Lattice Model, Fluid Phase Equilibria, 117, 1996: 100-106
Hu Y., Ying X.G.:On the stability of polydisperse mixtures based on equation of state, Fluid Phase Equilibria,127(1), 1996: 21-27