基于K-K方程的CO_2-离子液体吸收制冷工质对相平衡特性预测
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摘要
基于Krichevsky–Kasarnovsky(K-K)方程,首先通过将实验测得的溶解度数据与K-K方程相关联,得到不同温度下CO_2的亨利常数和无限稀释偏摩尔体积,然后运用改进的K-K(MKK)方程计算了温度为293.15～333.15 K及压力为0～5.0 MPa内CO_2在离子液体[emim][FAP]、[bmim][FAP]和[hmim][FAP]中的溶解度。结果表明:降低温度和升高压力都有助于提高CO_2的溶解度;同族离子液体阳离子的烷基链长度越长,CO_2的溶解度越大;当压力为5 MPa及温度为293.15 K时,CO_2在离子液体[hmim][FAP]中的溶解度值达到最大值为0.764 1;在相同条件下,CO_2在以上3种离子液体中的亨利常数与CO_2的溶解度大小次序相反,表明亨利常数越小,溶解度越大。由MKK方程计算得到的CO_2在3种离子液体中的溶解度值与实验值之间的总相对偏差绝对平均值分别为1.55%、2.09%和2.73%,表明MKK方程能以较好的精度预测CO_2在所研究离子液体中的溶解度。
Henry's constant and partial molar volume of CO_2 at infinite dilution under different temperatures were obtained by correlating experimental solubility data with Krichevsky-Kasarnovsky(K-K) equation, and the solubility of CO_2 in ionic liquids(ILs) [emim][FAP], [bmim][FAP] and [hmim][FAP] was calculated using a modified K-K(MKK) equation at 293.15～333.15 K and 0～5.0 MPa. The results show that CO_2 solubility in the three ILs decreases with the increase of temperature but increases with the increase of pressure. Longer alkyl chains lead to higher CO_2 solubility. The solubility of CO_2 in [hmim][FAP] reaches the maximum value of 0.764 1 at 5 MPa and 293.15 K. Moreover, the Henry's constant of CO_2 in the above three ILs shows the opposite trend as that of CO_2 solubility under same conditions, which indicates that smaller Henry's constants means higher solubility. The absolute average values of total relative deviation between CO_2 solubility values in the three ILs calculated from MKK equation and the experimental values are 1.55%、2.09% and 2.73%, respectively, which indicates that the MKK equation can be used to predict CO_2 solubility in ILs.
Henry's constant and partial molar volume of CO_2 at infinite dilution under different temperatures were obtained by correlating experimental solubility data with Krichevsky-Kasarnovsky(K-K) equation, and the solubility of CO_2 in ionic liquids(ILs) [emim][FAP], [bmim][FAP] and [hmim][FAP] was calculated using a modified K-K(MKK) equation at 293.15～333.15 K and 0～5.0 MPa. The results show that CO_2 solubility in the three ILs decreases with the increase of temperature but increases with the increase of pressure. Longer alkyl chains lead to higher CO_2 solubility. The solubility of CO_2 in [hmim][FAP] reaches the maximum value of 0.764 1 at 5 MPa and 293.15 K. Moreover, the Henry's constant of CO_2 in the above three ILs shows the opposite trend as that of CO_2 solubility under same conditions, which indicates that smaller Henry's constants means higher solubility. The absolute average values of total relative deviation between CO_2 solubility values in the three ILs calculated from MKK equation and the experimental values are 1.55%、2.09% and 2.73%, respectively, which indicates that the MKK equation can be used to predict CO_2 solubility in ILs.
引文
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[22]刘向阳,白里航,刘思琦,等.R-1234yf在[HMIM][Tf2N]中的溶解度[J].热科学与技术,2017,16(3):201-205.LIU X Y,BAI L H,LIU S Q,et al.Solubility of R-1234yf in[HMIM][Tf2N][J].Journal of Thermal Science and Technology,2017,16(3):201-205.
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[24]LIU X Y,LV N,SU C,et al.Solubilities of R32,R245fa,R227ea and R236fa in a phosphonium-based ionic liquid[J].Journal of Molecular Liquids,2016,218:525-530.
[2]BHATTI M S.A critical look at R-744 and R-134a mobile air conditioning systems[J].SAE Technical Paper 970527,1997.
[3]MOZURKEWICH G,SIMONI L D,STADTHERR M A,et al.Performance implications of chemical absorption for the carbon-dioxide-cofluid refrigeration cycle[J].International Journal of Refrigeration,2014,46:196-206.
[4]武卫东,贾松燊,吴俊,等.以降压为目的的CO2混合工质制冷系统研究进展[J].化工进展,2017,36(6):1969-1976.WU W D,JIA S S,WU J,et al.Research progress on refrigeration systems using CO2 mixture refrigerant to reduce its cycle pressure[J].Chemical Industry and Engineering Progress,2017,36(6):1969-1976.
[5]MARTIN A,BERMEJO M D.Thermodynamic analysis of absorption refrigeration cycles using ionic liquid+supercritical CO2 pairs[J].The Journal of Supercritical Fluids,2010,55(2):852-859.
[6]BARGHI S H,TSOTSIS T T,SAHIMI M.Solubility and diffusivity of H2 and CO2 in the ionic liquid[bmim][PF6][J].International Journal of Hydrogen Energy,2015,40(28):8713-8720.
[7]DI W,IVASKA A.Applications of ionic liquids in electrochemical sensors[J].Analytica Chimica Acta,2008,607(2):126-135.
[8]BAI L,SHANG D W,LI M D,et al.CO2 absorption with ionic liquids at elevated temperatures[J].Journal of Energy Chemistry,2017,26(5):1001-1006.
[9]SHIFLETT M B,YOKOZEKI A.Solubilities and diffusivities of carbon dioxide in ionic liquids:?[bmim][PF6]and[bmim][BF4][J].Industrial&Engineering Chemistry Research,2005,44(12):4453-4464.
[10]SCOVAZZO P,CAMPER D,KIEFT J,et al.Regular solution theory and CO2gas solubility in room-temperature ionic liquids[J].Industrial and Engineering Chemistry Research,2004;43(21):6855-6860.
[11]KIM Y S,CHOI W Y,JANG J H,et al.Solubility measurement and prediction of carbon dioxide in ionic liquids[J].Fluid Phase Equilib,2005,228/229(3):439-445.
[12]KAMPS A P S,TUMA D,XIA J Z,et al.Solubility of CO2 in the ionic liquid[bmim][PF6][J].Journal of Chemical Engineering Data,2003,48(3):746-749.
[13]高军,张明存,徐冬梅,等.CO2在离子液体中溶解度的模型研究[J].山东科技大学学报,2006,25(4):57-59.GAO J,ZHANG M C,XU D M,et al.Modeling Solubility of Carbon Dioxide in Ionic Liquids[J].Journal of Shandong University of Science and Technology,2006,25(4):57-59.
[14]BERMEJO M D,MARTIN A,FOCO G,et al.Application of a group contribution equation of state for the thermodynamic modeling of the binary systems CO2-1-butyl-3-methyl imidazolium nitrate and CO2-1-hydroxy-1-propyl-3-methyl imidazolium nitrate[J].Journal of Supercritical Fluids,2009,50(2):112-117.
[15]BERMEJO M D,MONTERO M,SAEZ E,et al.Liquid-vapor equilibrium of the systems butyl-methyl-imidazolium nitrate-CO2and hydroxypropyl-methyl imidazoliumnitrate-CO2 at high pressure:influence of water on the phase behavior[J].Journal of Physical Chemistry B,2008,112(43):13532-13541.
[16]YUAN X,ZHANG S,LIU J,et al.Solubilities of CO2in hydroxyl ammonium ionic liquids at elevated pressures[J].Fluid Phase Equilibria,2007,257(2):195-200.
[17]周凌云.功能化离子液体及改性硅基介孔材料捕集CO2研究[D].新乡:河南师范大学,2014.ZHOU L Y.Research on CO2 capture by task-specific ionic liquids and modified mesoporous silicon materials[D].Xinxiang:Henan Normal University,2014.
[18]SHOKOUHI M,ADIBI M,JALILI A H,et al.Solubility and diffusion of H2S and CO2 in the ionic liquid 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate[J].Journal of Chemical Engineering Data,2010,55(4):1663-1668.
[19]AFZAL W,LIU X Y,PRAUSNITZ J M.Solubilities of some gases in four immidazolium-based ionic liquids[J].Journal of Chemical Thermodynamics,2013,63(8):88-94.
[20]MOFFAT R J.Describing the uncertainties in experimental results[J].Experimental Thermal&Fluid Science,1988,1(1):3-17.
[21]LIU X Y,AFZAL W,PRAUSNITZ J M.High solubilities of small hydrocarbons in trihexyl tetradecy-phosphonium bis(2,4,4-trimethylpentyl)phosphinate[J].Journal Physical Chemistry:B,2013,117(36):10534-10539.
[22]刘向阳,白里航,刘思琦,等.R-1234yf在[HMIM][Tf2N]中的溶解度[J].热科学与技术,2017,16(3):201-205.LIU X Y,BAI L H,LIU S Q,et al.Solubility of R-1234yf in[HMIM][Tf2N][J].Journal of Thermal Science and Technology,2017,16(3):201-205.
[23]LIU X Y,BAI L H,LIU S Q,et al.Vapor-liquid equilibrium of R1234yf/[HMIM][Tf2N]and R1234ze(E)/[HMIM][Tf2N]working pairs for the absorption refrigeration cycle[J].Journal of Chemical&Engineering Data,2016,61(11):3952-3957.
[24]LIU X Y,LV N,SU C,et al.Solubilities of R32,R245fa,R227ea and R236fa in a phosphonium-based ionic liquid[J].Journal of Molecular Liquids,2016,218:525-530.
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