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Chinese Journal of Chemical Engineering 2006年第2期14卷 276-280页

作者：张颖周荣琪 Department of Chemical Engineering Tsinghua University Beijing 100084 China

vapor-liquid equilibria for water+hydrochloric acid+magnesium chloride and water+hydrochloric acid+calcium chloride systems at atmospheric pressure were measured using a Othmer-type equilibrium still. The experimental data are correlated using a modified Meissner’s method. Satisfactory agreements are obtained between the experimental and the calculated results.

关键词： hydrochloric acid magnesium chloride calcium chloride vapor-liquid equilibria

Measurement and Correlation of vapor-liquid equilibria for Hexamethyl Disiloxane+Vinyl Acetate System at 101.3 kPa

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Chinese Journal of Chemical Engineering 2014年第2期22卷 177-180页

作者：张文林杜威孟楠孙如意李春利 School of Chemical Engineering Hebei University of Technology Shijiazhuang Newthreetalent Engineering Co.Ltd

vapor-liquid equilibrium data of hexamethyl disiloxane+vinyl acetate system at 101.3kPa were measured by using double circulating vapor-liquid equilibrium *** thermodynamic consistency of the VLE data was examined by Herrington *** data was correlated by non-random two-liquid(NRTL),Wilson and universal quasichemical(UNIQUAC)parameter *** the models satisfactorily correlated with the VLE *** result showed that the NRTL model was the most suitable one to represent experimental data *** system had a minimum temperature azeotrope at 345.71 K and the mole azeotropic composition was 0.0541.

关键词： vapor-liquid equilibria vinyl acetate hexamethyl disiloxane determination correlation

Modeling analysis of cobalt-based Fischer-Tropsch catalyst particles

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Chinese Journal of Chemical Engineering 2024年第6期70卷 82-92页

作者： Huashuai Wu Gang Wang Yong Yang Yongwang Li College of Chemical Engineering and Technology Taiyuan University of TechnologyTaiyuan 030024China National Energy Research&Development Center for Coal to liquid Fuels Synfuels China CompanyLimitedBeijing 101400China

The influences of particle size,shape,and catalyst distribution on the reactivity and hydrocarbon product selectivity of a cobalt-based catalyst for Fischer-Tropsch synthesis were investigated in the present work.A self-consistent kinetic model for Fischer-Tropsch reaction proposed here was found to correlate experimental data well and hence was used to describe the consumption rates of reactants and formation rates of hydrocarbon *** perturbed-chain statistical associating fluid theory equation of state was used to describe vapor-liquid equilibrium behavior associated with Fischer-Tropsch *** interaction between intraparticle diffusion and Fischer-Tropsch reaction was investigated in *** showed that in order to avoid the adverse influence of intraparticle diffusional limitations on catalyst reactivity and product selectivity,the use of small particles is *** eggshell spherical particles are shown to keep the original catalyst reactivity and enhance the selectivity of heavy hydrocarbon *** suitable layer thickness for a spherical particle with a diameter of 2 mm is nearly 0.15 *** the same outer diameter of 2 mm,the catalyst reactivity and heavy product selectivity of hollow cylindrical particles with a layer thickness of 0.25 mm are found to be larger than eggshell spherical *** the viewpoint of catalytic performance,hollow cylindrical particles are a better choice for industrial applications.

关键词： Fischer-Tropsch synthesis Kinetic modeling vapor-liquid equilibria Numerical simulation Intraparticle diffusion Particle shapes

vapor-liquid equilibrium properties for confined binary mixtures involving CO_2,CH_4,and N_2 from Gibbs ensemble Monte Carlo simulations

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Science China Chemistry 2012年第9期55卷 1825-1831页

作者： LI YingFeng YU YangXin ZHENG YuanXiang LI JiDing Department of Chemical Engineering Tsinghua UniversityBeijing 100084China

The effects of solid-fluid interactions on the vapor-liquid phase diagram,coexistence density,relative volatility and vaporization enthalpy have been investigated for confined binary systems of CO 2-CH 4,CO 2-N 2 and CH 4-N *** Gibbs ensemble Monte Carlo(GEMC) simulation results indicate that the confinement and the solid-fluid interaction have significant influences on the vapor-liquid equilibrium *** confinement and the strength of the solid-fluid interaction make the p-x i phase diagram move to higher pressure *** also make the two-phase region become narrower for each binary *** strength of the solid-fluid interactions can cause increases in the coexistence liquid and vapor densities,and cause the decrease of the relative volatility and the vaporization enthalpy for the systems *** the pore width is decreased,the two-phase region of the binary mixture becomes narrower.

关键词： vapor-liquid equilibria slit-pore Gibbs ensemble Monte Carlo simulation vaporization enthalpy

Calculation of CO_2, CH_4 and H_2S Solubilities in Aqueous Electrolyte Solution at High Pressure and High Temperature

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Journal of Thermal Science 1997年第4期6卷 251-259页

作者： Carrier Hervé Suyu Ye Lagourette Bernard Alliez Jacques Xans Pierre Laboratoire Haute Pression Centre Universitaire de Recherche Scientifique Université de Pau Pau France

This paper reports an investigation into the characterisation of liquidaivapor electrolyte solutions at high pressure and high temperature. A procedure to enable calcuIations of methane, carbon dioxide and hydrogen sulphide solubilities in brines (0-6 m.) for temperature from 25 to 350℃ and for pressures from 1 to 1800 bar is presented. The model is based on Helgeson, Kirkham and Flowers modified equations of state (HKF) and on the semi-empirical interaction model introduced by Pitzer. HKF modified equations of state are used to calculate the reference fugacity of gas species, and the Pitzer ionic interaction model is used to calculate the activity coefficient of dissolved species (i.e. ionic or neutral).The efficiency of the combination of the two models is confirmed by several comparisons with data in the literature.

关键词： vapor-liquid equilibria solubility electrolytes solutions high temperature high pressure

Estimation and Test of Interaction Parameters in the UNIFAC Model of Group-OCOO-with Group-CH_3,ACH, CH_3OH and CH_3COO-

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Chinese Journal of Chemical Engineering 2005年第2期13卷 271-275页

作者：方云进钱俊明 UNILAB Research Center of Chemical Reaction Engineering East China University of Science and Technology Shanghai 200237China

Isobaric vapor-liquid equilibria (VLE) are experimentally measured for the binary systems of dimethyl carbonate (DMC)+ ethylene carbonate and methanol + ethylene carbonate at 101.325kPa. The thermodynamic consistency of these experimental data is tested with an available statistic method. Interaction parameters of the carbonate group -OCOO- with the group -CH3, ACH, CH3OH and CH3COO- in UNIFAC model are determined using the experimental and literature VLE data. The results show that the calculated VLE data using the new UNIFAC parameters agree excellently with the experimental data in this work and in literature. These results are useful in the research on DMC and diphenyl carbonate synthesis by transesterification in design of reactor and distillation tower.

关键词： vapor-liquid equilibria dimethyl carbonate UNIFAC carbonate group interaction parameters

An Analytic Equation of State Based on SAFT-CP for Binary Non-Polar Alkane Mixtures Across the Critical Point

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Tsinghua Science and Technology 2003年第6期8卷 756-759页

作者：周文来密建国贺刚于燕梅陈健 Department of Chemical Engineering Tsinghua University

The description using an analytic equation of state of thermodynamic properties near the critical points of fluids and their mixtures remains a challenging problem in the area of chemical engineering. Based on the statistical associating fluid theory across the critical point (SAFT-CP), an analytic equation of state is established in this work for non-polar mixtures. With two binary parameters, this equation of state can be used to calculate not only vapor-liquid equilibria but also critical properties of binary non-polar alkane mixtures with acceptable deviations.

关键词： equation of state the statistical associating fluid theory across the critical point (SAFT-CP) critical point vapor-liquid equilibria