费托合成水相关二元体系热力学模型评价
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摘要
采用活度系数模型中的Wilson,NRTL,UNIQUAC和UNIFAC模型,对费托合成水中相关的二元体系汽液相平衡数据进行计算,并进一步通过Hayden-O'Connell状态方程对汽相修正,从而得到Wilson-HOC,NRTL-HOC,UNIQUAC-HOC和UNIFAC-HOC模型的计算结果,并对比模型预测的计算结果和实验数据的偏差,对模型进行评价。结果表明:醇-水/醇体系,采用Hayden-O'Connell状态方程校正汽相计算结果后,模型计算结果的准确性得到提高;水-醛/酮体系,计算时不需要对汽相进行修正;水-酸/酯体系,由于水-酸体系是强缔合体系,采用Hayden-O'Connell状态方程修正汽相计算后,计算结果与实验值的偏差明显降低;醇-酸体系,采用Hayden-O'Connell方程修正后,Wilson,NRTL和UNIQUAC计算偏差没有明显降低,但UNIFAC-HOC的计算偏差明显减小,因此在采用UNIFAC模型计算时,应对汽相计算进行修正。
The deviations of the related binary vapor-liquid phase equilibrium calculations in Fisher-Tropsch synthesis water with the experimental values were calculated by the activity coefficient model of Wilson model,NRTL model,UNIQUAC model,and UNIFAC model. The Hayden-O'Connell state equation which was combined with the former models to derive Wilson-HOC model,NRTL-HOC model,UNIQUAC model,and UNIFAC-HOC model separately was then introduced to the vapor phase calculation. The calculation results with these activity coefficient models show that the accuracy of calculation can be improved by using the EOS of Hayden-O'Connell in alcohol-water / alcohol binary systems. In water-aldehyde / ketone systems,these calculations need not to be modified in vapor phase. In water-acid / ester systems,due to the strong association in water-acid binary systems,the deviations of calculation results to the experimental values were significantly decreased by introducing the HaydenO'Connell state equation to modify vapor phase calculation. In alcohol-acid systems,the errors caused through the calculation are apparently reduced when UNIFAC model was modified by EOS of Hayden-O'Connell.
The deviations of the related binary vapor-liquid phase equilibrium calculations in Fisher-Tropsch synthesis water with the experimental values were calculated by the activity coefficient model of Wilson model,NRTL model,UNIQUAC model,and UNIFAC model. The Hayden-O'Connell state equation which was combined with the former models to derive Wilson-HOC model,NRTL-HOC model,UNIQUAC model,and UNIFAC-HOC model separately was then introduced to the vapor phase calculation. The calculation results with these activity coefficient models show that the accuracy of calculation can be improved by using the EOS of Hayden-O'Connell in alcohol-water / alcohol binary systems. In water-aldehyde / ketone systems,these calculations need not to be modified in vapor phase. In water-acid / ester systems,due to the strong association in water-acid binary systems,the deviations of calculation results to the experimental values were significantly decreased by introducing the HaydenO'Connell state equation to modify vapor phase calculation. In alcohol-acid systems,the errors caused through the calculation are apparently reduced when UNIFAC model was modified by EOS of Hayden-O'Connell.
引文
[1]李永旺,张立,杨强,等.一种费托合成水的处理方法:中国,103523986B[P].2015-01-28.
[2]李永旺,郝栩,高琳,等.一种费托合成水的纯化回收方法:中国,103435211B[P].2015-08-26.
[3]王逸凝,李永旺,赵玉龙,等.费托(FT)合成气汽液平衡研究现状与进展[J].化学工程,1999,27(3):36-40.
[4]郭天民.多元气-液平衡和精馏[M].北京:石油工业出版社,2002.
[5]董丽华,郝栩,曹立仁,等.费托合成油品体系相关二元物系汽液相平衡预测方法的评价[J].化工学报,2009,60(6):1367-1372.
[6]WILSON G M.Vapor-liquid equilibrium.XI.A new expression for the excess free energy of mixing[J].J Am Chem Soc,1964,86(2):127-130.
[7]RENON H,PRAUSNITZ J M.Local compositions in thermodynamic excess functions for liquid mixtures[J].AICh E Journal,1968,14(1):135-144.
[8]ABRAMS D S,PRAUSNITZ J M.Statistical thermodynamics of liquid mixtures:a new expression for the excess gibbs energy of partly or completely miscible systems[J].AICh E Journal,1975,21(1):116-128.
[9]HANSEN H K,RASMUSSEN P,FREDENSLUND A,et al.Vapor-liquid equilibria by UNIFAC group contribution.5.Revision and extension[J].Ind Eng Chem Res,1991,30:2352-2355.
[10]HAYDEN G J,O'CONNELL P J.A generalized method for predicting second virial coefficients[J].Ind Eng Chem Proc Des Dev,1975,14(3):209-216.
[11]高琳,王树盛,龙爱斌,等.一种费托合成水中的非酸含氧有机物的脱水回收方法:中国,103483148B[P].2015-10-28.
[12]高琳,王树盛,仝云娜.费托合成水中的非酸含氧有机物的脱水回收方法:中国,103467257B[P].2016-01-20.
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[14]OTSUKI H,WILLIAMS F C.Effect of pressure on vaporliquid equilibria for the system ethyl alcohol-water[J].Chem Eng Progr Symp Ser,1953,49(6):55-67.
[15]SEVGILI L,SENOL A.Isobaric(vapour+liquid)equilibrium for(2-propanol+water+ammonium thiocyanate):Fitting the data by an empirical equation[J].J Chem Thermodyn,2006,38:1539-1545.
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[19]ARCE A,MARTINEZ-AGEITOS J,RODIL E,et al.Phase equilibria involved in extractive distillation of2-methoxy-2-methylpropane+methanol using 1-butanol as entrainer[J].Fluid Phase Equilib,2000,171(1/2):207-218.
[20]OCHI K,KOJIMA K.Vapor-liquid equilibrium for ternary system consisting of alcohols and water[J].Kagaku Kogaku Ronbunshu,1969,33:352.
[21]BALLARD L H.Vapor-liquid equilibria at760 mm pressure2-propanol-methanol,2-propanol-ethyl alcohol,2-propanolpropanol,and 2-propanol-2-butyl alcohol systems[J].Ind Eng Chem,1952,44:2450.
[22]GAY L.Distallation and rectification of complex mixturesⅡ[J].Chim Ind,1927,18:187-203.
[23]SUSKA J.Phase equilibria in binary systems containing acetaldehyde[J].Collect Czech Chem Commun,1979,44:1852-1856.
[24]MOZZHUKHIN A S,MITROPOL'SKAYA V A,SERAFIMOV L A,et al.Liquid-vapour phase equilibrium in binary mixtures of some oxygen-containing products at760mm hg[J].Russ J Phys Chem,1967,41:116-119.
[25]PERELYGIN V M,SMIRNOV V S.Liquid-vapor equilibrium in the systems ethanol+n-butyric aldehyde[J].Izv Vyssh Uchebn Zaved,Pishch Tekhnol,1970,2:211-214.
[26]Al-SAHHAF T A,JABBAR N J.Vapor-liquid equilibrium of the acetone-water-salt system[J].J Chem Eng Data,1993,38:522-526.
[27]ELLIS S R M,GARBETT R D.A new equilibrium still for the study of partially miscible systems[J].Ind Eng Chem,1960,52:385.
[28]RAWAT B S,KRISHNA S.Isobaric vapor-liquid equilibria for the partially miscible system of water+methyl isobutyl ketone[J].J Chem Eng Data,1984,29:403-404.
[29]XIE Qiang,WAN Hui,HAN Mingjuan,et al.Investigation on isobaric vapor liquid equilibrium for acetic acid+water+methyl ethyl ketone+isopropyl acetate[J].Fluid Phase Equilib,2009,280(1/2):120-128.
[30]RAFFLENBEUL L,HARTMANN H.Eine dynamische apparatur zur bestimmung von dampf-flüssigkeits-phasengleichgewichten[J].Chemie-Technik,1978,7:145-148.
[31]ARISTOVICH V Y,LEVIN A I,MORACHEVSKII AG.Vapor-liquid equilibrium in low molecular-weight fatty acids-water systems[J].Tr Vses Nauchno-Issled Inst Neftekhim Protsessov,1962,5:84-101.
[32]PERELYGIN V M,VOLKOV A G.Liquid-vapor phase equilibrium in ethanol-methyl acetate and water-methyl acetate systems[J].Izv Vyssh Uchebn Zaved Pishch Tekhnol,1970,3:124-126.
[33]RAJENDRAN M,RENGANARAYANAN S,SRINIVASAN D.Salt effect in phase equilibria and heat of mixing:effect of dissolved inorganic salts on the liquid-liquid equilibria of ethyl acetate-2-propanol-water system and the vapor-liquid equilibria and heat of mixing of its constituent binaries[J].Fluid Phase Equilib,1991,70(1):65-106.
[34]MACARRON A.Determination of liquid-vapor equilibrium diagrams in binary systems with chemical reactions[J].Rev R Acad Cienc Exactas,Fis Nat Madrid,1959,53:607-647.
[35]AMER A S.Liquid-vapor equilibrium of the binary systems formed by propionic acid and methyl,ethyl,propyl,isopropyl,n-butyl,isobutyl,sec-butyl,and t-butyl alcohol[J].An Quim,1975,71:117-126.
[36]CUI Zhiyu,GAO Zhenghong,MA Zhonglong,et al.The lower isobaric vapor-liquid equilibrium for ethanol-acetic acid binary system[J].Journal of Tianjin University,1994,27(3):289-293.
[2]李永旺,郝栩,高琳,等.一种费托合成水的纯化回收方法:中国,103435211B[P].2015-08-26.
[3]王逸凝,李永旺,赵玉龙,等.费托(FT)合成气汽液平衡研究现状与进展[J].化学工程,1999,27(3):36-40.
[4]郭天民.多元气-液平衡和精馏[M].北京:石油工业出版社,2002.
[5]董丽华,郝栩,曹立仁,等.费托合成油品体系相关二元物系汽液相平衡预测方法的评价[J].化工学报,2009,60(6):1367-1372.
[6]WILSON G M.Vapor-liquid equilibrium.XI.A new expression for the excess free energy of mixing[J].J Am Chem Soc,1964,86(2):127-130.
[7]RENON H,PRAUSNITZ J M.Local compositions in thermodynamic excess functions for liquid mixtures[J].AICh E Journal,1968,14(1):135-144.
[8]ABRAMS D S,PRAUSNITZ J M.Statistical thermodynamics of liquid mixtures:a new expression for the excess gibbs energy of partly or completely miscible systems[J].AICh E Journal,1975,21(1):116-128.
[9]HANSEN H K,RASMUSSEN P,FREDENSLUND A,et al.Vapor-liquid equilibria by UNIFAC group contribution.5.Revision and extension[J].Ind Eng Chem Res,1991,30:2352-2355.
[10]HAYDEN G J,O'CONNELL P J.A generalized method for predicting second virial coefficients[J].Ind Eng Chem Proc Des Dev,1975,14(3):209-216.
[11]高琳,王树盛,龙爱斌,等.一种费托合成水中的非酸含氧有机物的脱水回收方法:中国,103483148B[P].2015-10-28.
[12]高琳,王树盛,仝云娜.费托合成水中的非酸含氧有机物的脱水回收方法:中国,103467257B[P].2016-01-20.
[13]KURIHARA K,NAKAMICHI M,KOJIMA K.Isobaric vapor-liquid equilibria for methanol+ethanol+water and the three constituent binary systems[J].J Chem Eng Data,1993,38:446-449.
[14]OTSUKI H,WILLIAMS F C.Effect of pressure on vaporliquid equilibria for the system ethyl alcohol-water[J].Chem Eng Progr Symp Ser,1953,49(6):55-67.
[15]SEVGILI L,SENOL A.Isobaric(vapour+liquid)equilibrium for(2-propanol+water+ammonium thiocyanate):Fitting the data by an empirical equation[J].J Chem Thermodyn,2006,38:1539-1545.
[16]YAMAMOTO Y,MARUYAMA T.Separating agents in the azeotropic distillation of butanol and water[J].Kagaku Kogaku,1959,23:635.
[17]KOJIMA K,TOCHIGI K,SEKI H,et al.Determination of vapor-liquid equilibrium from boiling point curve[J].Kagaku Kogaku,1968,32:149-153.
[18]ZHANG GENGXIN,WEEKS L,Wei Jianhua.Vapor-liquid equilibria data for methanol+2-propanol+2-methyl-2-butanol and constituent binary systems at 101.3 k Pa[J].J Chem Eng Data,2007,52(3):878-883.
[19]ARCE A,MARTINEZ-AGEITOS J,RODIL E,et al.Phase equilibria involved in extractive distillation of2-methoxy-2-methylpropane+methanol using 1-butanol as entrainer[J].Fluid Phase Equilib,2000,171(1/2):207-218.
[20]OCHI K,KOJIMA K.Vapor-liquid equilibrium for ternary system consisting of alcohols and water[J].Kagaku Kogaku Ronbunshu,1969,33:352.
[21]BALLARD L H.Vapor-liquid equilibria at760 mm pressure2-propanol-methanol,2-propanol-ethyl alcohol,2-propanolpropanol,and 2-propanol-2-butyl alcohol systems[J].Ind Eng Chem,1952,44:2450.
[22]GAY L.Distallation and rectification of complex mixturesⅡ[J].Chim Ind,1927,18:187-203.
[23]SUSKA J.Phase equilibria in binary systems containing acetaldehyde[J].Collect Czech Chem Commun,1979,44:1852-1856.
[24]MOZZHUKHIN A S,MITROPOL'SKAYA V A,SERAFIMOV L A,et al.Liquid-vapour phase equilibrium in binary mixtures of some oxygen-containing products at760mm hg[J].Russ J Phys Chem,1967,41:116-119.
[25]PERELYGIN V M,SMIRNOV V S.Liquid-vapor equilibrium in the systems ethanol+n-butyric aldehyde[J].Izv Vyssh Uchebn Zaved,Pishch Tekhnol,1970,2:211-214.
[26]Al-SAHHAF T A,JABBAR N J.Vapor-liquid equilibrium of the acetone-water-salt system[J].J Chem Eng Data,1993,38:522-526.
[27]ELLIS S R M,GARBETT R D.A new equilibrium still for the study of partially miscible systems[J].Ind Eng Chem,1960,52:385.
[28]RAWAT B S,KRISHNA S.Isobaric vapor-liquid equilibria for the partially miscible system of water+methyl isobutyl ketone[J].J Chem Eng Data,1984,29:403-404.
[29]XIE Qiang,WAN Hui,HAN Mingjuan,et al.Investigation on isobaric vapor liquid equilibrium for acetic acid+water+methyl ethyl ketone+isopropyl acetate[J].Fluid Phase Equilib,2009,280(1/2):120-128.
[30]RAFFLENBEUL L,HARTMANN H.Eine dynamische apparatur zur bestimmung von dampf-flüssigkeits-phasengleichgewichten[J].Chemie-Technik,1978,7:145-148.
[31]ARISTOVICH V Y,LEVIN A I,MORACHEVSKII AG.Vapor-liquid equilibrium in low molecular-weight fatty acids-water systems[J].Tr Vses Nauchno-Issled Inst Neftekhim Protsessov,1962,5:84-101.
[32]PERELYGIN V M,VOLKOV A G.Liquid-vapor phase equilibrium in ethanol-methyl acetate and water-methyl acetate systems[J].Izv Vyssh Uchebn Zaved Pishch Tekhnol,1970,3:124-126.
[33]RAJENDRAN M,RENGANARAYANAN S,SRINIVASAN D.Salt effect in phase equilibria and heat of mixing:effect of dissolved inorganic salts on the liquid-liquid equilibria of ethyl acetate-2-propanol-water system and the vapor-liquid equilibria and heat of mixing of its constituent binaries[J].Fluid Phase Equilib,1991,70(1):65-106.
[34]MACARRON A.Determination of liquid-vapor equilibrium diagrams in binary systems with chemical reactions[J].Rev R Acad Cienc Exactas,Fis Nat Madrid,1959,53:607-647.
[35]AMER A S.Liquid-vapor equilibrium of the binary systems formed by propionic acid and methyl,ethyl,propyl,isopropyl,n-butyl,isobutyl,sec-butyl,and t-butyl alcohol[J].An Quim,1975,71:117-126.
[36]CUI Zhiyu,GAO Zhenghong,MA Zhonglong,et al.The lower isobaric vapor-liquid equilibrium for ethanol-acetic acid binary system[J].Journal of Tianjin University,1994,27(3):289-293.