101.3 kPa 下环氧环己烷-环己酮气液平衡的测定及关联简

Many by-products are generated in the process of oxidizing cyclohexene to produce 1,2-epoxycyclohexane by hydrogen peroxide, including cyclohexanol, cyclohexanone, etc. To obtain high-purity 1,2-epoxycyclohexane, the by-products must be removed through rectification. Refining 1,2-epoxycyclohexane through rectification requires vapor-liquid equilibrium （VLE） data of the related system. Therefore, the VLE data of 1,2-epoxycyclohexane- cyclohexanone system were measured at 101.3 kPa using an improved EC-2 VLE still. The thermodynamic consistency of the data was then tested by Herington＇s method and the rigorous point-to-point method. The results obtained were exemplary. The VLE data were correlated by the Wilson and non-random two-liquid （NRTL） equations, using the error sum squares of the vapor composition as the objective function to obtain the model parameters. The difference between the calculated values and the experimental data is minor, indicating that the VLE data are suitable for engineering design.     

Measurement and correlation of vapor-liquid equilibria for hexamethyl disiloxane + vinyl acetate system at 101.3 kPa简

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

常压下环己烯-环己醇汽液平衡的测定和关联

Many by-products are generated in the process of oxidizing cyclohexene to produce 1,2-epoxycyclohexane by hydrogen peroxide,including cyclohexanol,cyclohexanone,etc.To obtain high-purity 1,2-epoxycyclohexane, the by-products and unreacted cyclohexene must be removed through rectification,in which the vapor-liquid equilibrium(VLE)data of the system are needed.In this study,the VLE data of cyclohexene-cyclohexanol system were studied at 101.3 kPa using an improved EC-2 VLE still.The thermodynamic consistency of the data was examined by Herington’s method.The results obtained were exemplary.The VLE data were correlated by the Wilson equation. The difference between the calculated values and the experimental data is minor,indicating that the VLE data are suitable for engineering design.     

Measurement and modeling of vapor-liquid equilibrium for ternary system water + 2-propanol + 1-butyl-3-methylimidazoliumchloride简

Vapor-liquid equilibrium （VLE） data for water ＋ 2-propanol ＋ 1-butyl-3-methylimidazolium chloride （[bmim]Cl） were measured. Six sets of complete T, x, y data are reported, in which the 2-propanol mole fraction on IL-free basis is fixed separately at 0.1, 0.2, 0.4, 0.6, 0.8, and approximate 0.98, while the IL mass fraction is varied from 0.1 to 0.8, in an interval of 0.1. The non-random-two-liquid （NRTL） and electrolyte non-random-two-liquid （eNRTL） equations are used to correlate the experimental data with satisfactory results. The ternary VLE behavior is also modeled with the parameters obtained by correlating two data sets, in which the mole fraction of 2-propanol on IL-free basis is approximately 0.1 and 0.98. In this way, the six sets of data are reproduced satisfactorily. With the eNRTL model, the root-mean-square deviation for temperature is 0.82 K and that for vapor-phase mole fraction is 0.0078. The influences of IL on activity coefficients and relative volatility of the volatile components are also graphically illustrated.     

DME-CO2-CH3OH和DME-CO2-C2H5OH体系的高压汽液相平衡研究

In this study, the Gibbs-Duhem equation was applied to make the thermodynamic consistency test and thermodynamic model estimation for systems of CO2-DME （dimethyl ether）, DME-CH3OH, CO2-CH3OH and DME-C2H5OH systems on the basis of the vapor-liquid equilibrium （VLE） experimental data in published reports. And the NRTL binary interaction parameters of the systems mentioned above were regressed by the VLE data and were subjected to a thermodynamic consistency test because the study showed that PR-NRTL model combination was appropriate for the four systems mentioned above. The regressed binary interaction parameters were used to estimate the VLE for DME-CO2-CH3OH at temperatures of 313.15K and 333.15K, and the estimated result was coincident with the experimental data. On the basis of the predicted VLE data for systems of DME-CO2-CH3OH and DME-CO2-C2H5OH, the VLE behaviors of the two systems were studied by the phase diagrams of these two ternary systems, with the forms of both the two dimensional and three dimensional phase diagrams, respectively.     

Isobaric vapor–liquid equilibrium for binary system of aniline+methyl-N-phenyl carbamate

In this study,the quasi-static ebulliometric method was used to measure both of the vapor pressures of methyl N-phenyl carbamate(MPC),and the isobaric vapor–liquid equilibrium(VLE) data of the aniline and MPC binary system.The measured vapor pressure data of MPC,at different temperature ranging from 369.60 to 389.54 K,fitted well with the Antoine equation.The VLE data for the aniline and MPC system at(2.00,4.00,6.00,7.00 and 8.00) k Pa were correlated by both of nonrandom two-liquid(NRTL) and Wilson models.The parameters of the two models were obtained by regressing the experimental data,with the absolute temperature deviations of 0.54 K and 0.53 K,respectively.The relative volatility of the binary system calculated was all far more than 1,which gives the conclusion that the high purity MPC can be separated from aniline and MPC binary system by rectification or distillation technology.     

Effect of methylimidazolium-based ionic liquids on vapor–liquid equilibrium behavior of tert-butyl alcohol + water azeotropic mixture at 101.3 kPa

Three ionic liquids(ILs),1-ethyl-3-methylimidazolium bromine([EMIM]Br),1-butyl-3-methylimidazolium bromine([BMIM]Br),and 1-hexyl-3-methylimidazolium bromine([HMIM]Br),were used as the solvent for separation of {tert-butyl alcohol(TBA)+ water} azeotrope.Vapor–liquid equilibrium(VLE)data for {TBA + water + IL}ternary systems were measured at 101.3 k Pa.The results indicate that all the three ILs produce an obvious effect on the VLE behavior of {TBA + water} system and eliminate the azeotropy in the whole concentration range.[EMIM]Br is the best solvent for the separation of {TBA + water} system by extractive distillation among the three ILs.The experimental VLE data for the ternary systems are correlated with the NRTL model equation with good correlations.Explanations are given with activity coefficients of water and TBA,and the experimental VLE-temperature data for {TBA or water + IL} binary systems.     

用局部组成理论关联纳米流体的剪切黏度

In this study, a new method is presented to correlate the shear viscosity of nanofluids by local composition theory. The Eyring theory and nonrandom two-liquid (NRTL) equation are used for this purpose. The effects of temperature and particle volume concentration on the viscosity are investigated. The adjustable parameters of NRTL equation are obtained by fitting with experimental data. The calculated shear viscosities for nanofluids of CuO/water with 29 nm particle size, Al2O3/water with two different particle diameters, 36 nm and 47 nm, and CuO/(ethylene glycol, water) are compared with experimental data and the average absolute deviation (AAD) is 1.2%, while the results from some conventional models yield an AAD of 190%. The results of this study are in excellent agreement with experimental data.     

运用人工神经网络关联二元混合物中气液相平衡

In this paper, a back propagation artificial neural network （BP-ANN） model is presented for the simultaneous estimation of vapour liquid equilibria （VLE） of four binary systems viz chlorodifluoromethan-carbondioxide, trifluoromethan-carbondioxide, carbondisulfied-trifluoromethan and carbondisulfied-chlorodifluoromethan. VLE data of the systems were taken from the literature for wide ranges of temperature （222.04-343.23K） and pressure （0.105 to 7.46MPa）. BP-ANN trained by the Levenberg-Marquardt algorithm in the MATLAB neural network toolbox was used for building and optimizing the model. It is shown that the established model could estimate the VLE with satisfactory precision and accuracy for the four systems with the root mean square error in the range of 0.054-0.119. Predictions using BP-ANN were compared with the conventional Redlich-Kwang-Soave （RKS） equation of state, suggesting that BP-ANN has better ability in estimation as compared with the RKS equation （the root mean square error in the range of 0.115-0.1546）.     

水-乙醇-1-丁基-3-甲基咪唑乙酸盐三元体系汽液平衡测定及模型

Vapor-liquid equilibrium (VLE) data were measured for ternary system water + ethanol + 1-butyl-3- methylimidazolium acetate ([bmim][OAc]), in a relatively wide range of ionic liquid (IL) mass fractions up to 0.8. Six sets of complete T-x-y data were obtained, in which the mole fraction of ethanol on IL-free basis was fixed separately at 0.1, 0.2, 0.4, 0.6, 0.8, and approximate 0.98. The non-random-two-liquid (NRTL) and electrolyte non-random-two-liquid (eNRTL) equations were used for correlation, showing similar deviations. The ternary VLE was also modeled with the correlation from two data sets, with the mole fractions of ethanol on IL-free basis being 0.1 and approximate 0.98. The VLE data were also reproduced satisfactorily. With the eNRTL model, the root-mean-square deviation for temperature is 0.79 K and that for vapor-phase mole fraction is 0.0094. The calculations are in good agreement with experimental data. The effect of the IL on the VLE behavior of the volatile components is also illustrated.     

丙酮-乙酸异丙烯酯二元体系常压汽液平衡

用改进的埃利斯(Ellis)平衡蒸馏器测定了丙酮-乙酸异丙烯酯二元系统在常压下的汽液平衡数据,用液相活度模型Wilson、NRTL方程对测定数据进行关联,采用非线性最小二乘法回归出二元系统在常压下的Wilson、NRTL方程参数,Wilson模型与试验值符合良好.汽液相平衡数据经Herrington面积法检验满足热力学一致性.     

水-二甲基甲酰胺-甲酸体系汽液相平衡的研究

用改进的Rose釜测定了水-N,N-二甲基甲酰胺（DMF）在101.33kPa、13.33kPa下的二元及水──DMF──甲酸在101.33kPa下的三元等压汽液相平衡数据．并对水──DMF汽液相平衡数据进行了关联,得出了相应的UNIQUAC,NRTL和Wilson模型参数．用Wilson模型推算了所测的三元汽液相平衡实验数据．结果令人满意．     

苯－三聚甲醛、环己烷－三聚甲醛二元汽－液相平衡

苯－三聚甲醛、环己烷－三聚甲醛二元汽－液相平衡王桂英，王广铨（吉林化工学院，１３２０２２）关键词苯；环己烷；三聚甲醛；汽－液平衡；关联１引言汽－液相平衡（ＶＬＥ）数据是化工基础数据的重要组成部分，国内外均有大量文献报导、并建有相应的ＶＬＥ数据库，对常...     

Extending the range of COSMO‐SAC to high temperatures and high pressures

The range of the predictive Gibbs energy of solvation model, COSMO‐SAC, is extended to large ranges of density, pressure, and temperature for very nonideal mixtures by combining it with an equation of state (EOS) using the Wong‐Sandler mixing rule. The accuracy of isothermal vapor‐liquid equilibria (VLE) calculations based on using the predictive COSMO‐SAC model and separately the correlative NRTL model is compared, each combined with three different forms of the Peng‐Robinson equation of state. All the models considered require the value of the EOS mixing rule binary parameter k_ij. The NRTL model also requires three other parameters obtained from correlation low pressure VLE data. The PRSV + COSMO‐SAC model is showed, with its one adjustable parameter obtained from low temperature data leads good predictions at much higher temperatures and pressures. © 2017 American Institute of Chemical Engineers AIChE J, 64: 1806–1813, 2018     

部分互溶体系4-甲基-2-戊醇和水的过量焓研究

本文使用LKB-2107型流动式微量热计测量了在293.15K、298.15K、303.15K和常压下部分互溶体系4甲基2戊醇和水的过量焓,并将所得结果用Rcdlich-Kister方程关联. 富醇区数据还用NRTL模型进行了关联,并推算出常压下汽液平衡数据.推算值与实验值比较,汽相组成和泡点的平均偏差分别为0.02摩尔分率和1.03K.     

苯-噻吩-DMF体系汽液平衡的研究(Ⅰ)——用鼓泡平衡釜及双柱法测定大沸点差体系汽液平衡数据

用鼓泡平衡釜分别在不同温度下测定了苯-噻吩-DMF(N,N-二甲基甲酰胺)体系的汽液平衡数据,一种新的分析方法—双柱法被用于具有大沸点差的二元和三元体系汽液相样的组成分析,测得的汽液平衡数据经热力学一致性检验及多种模型的关联,其结果令人满意。     

水-乙酸-乙酸丁酯体系汽液平衡研究

用改进Rose釜测定了乙酸-乙酸丁酯、水-乙酸-乙酸丁酯(完全互溶区)体系在101.33 kPa下的汽液平衡数据。考虑乙酸的缔合效应,利用维里方程和Hayden-O'Connell(HOC)模型计算各组分的汽相逸度系数,校正汽相的非理想性,液相的非理想性全部归结到液相活度系数中予以校正。用NRTL,UNIQUAC模型对乙酸-乙酸丁酯的汽液平衡数据进行关联,并得到相应的模型参数、温度偏差和汽相组成偏差。比较二元体系的关联结果,用NRTL模型参数预测了三元汽液平衡数据,计算值与实验值吻合良好,预测精度较好,说明采用的模型参数是可靠的,能够为精馏的设计和模拟计算提供基础热力学数据。     

正庚烷-DMF二元汽液平衡和液液平衡数据的测定及关联

采用改进的Rose-Williams釜,在101kPa下,测定了正庚烷-DMF二元体系的VLE数据。并用改进的液液平衡釜在常压下,测定了该二元体系(从293.2到341.2K)的LLE数据。应用NRTL和UNIQUAC两种模型关联了所测体系的相平衡数据,结果是令人满意的。     

亚硝酸乙酯-乙醇-草酸二乙酯三元体系汽液平衡

建立了测定低压下汽液平衡的实验装置，测定了２０～４０℃下亚硝酸乙酯－乙醇－草酸二乙酯的汽液平衡数据。用ＮＲＴＬ方程关联实验数据，得到较满意的结果