文中采用平衡釜法测定在常压下温度为303.15 K时{[BMIM][TFA](一丁基三甲基咪唑三氟乙酸盐)、[BMIM][DCA](一丁基三甲基咪唑双氰胺盐)和[BMIM][SCN](一丁基三甲基咪唑硫氰酸盐)}+乙醇+庚烷三元体系的液液相平衡数据,使用Bachman方程和Ot...文中采用平衡釜法测定在常压下温度为303.15 K时{[BMIM][TFA](一丁基三甲基咪唑三氟乙酸盐)、[BMIM][DCA](一丁基三甲基咪唑双氰胺盐)和[BMIM][SCN](一丁基三甲基咪唑硫氰酸盐)}+乙醇+庚烷三元体系的液液相平衡数据,使用Bachman方程和Othmer-Tobias方程对实验数据的热力学一致性进行检验,其线性相关系数均大于0.99。通过实验数据计算的分配系数和选择性比较了3种离子液体的分离性能,利用Aspen Plus v11模拟软件对实验数据回归得到二元相互作用参数,对比实验值得到的E_(RMSD)均小于4%。综上所述,使用离子液体萃取分离乙醇-庚烷体系是可行的,其中双氰胺根离子液体具有更好的探究价值。展开更多
Ionic liquids have received increasing attention for their potential uses as non-wolatile separation and reaction solvents, and the liquid-liquid equilibrium（LLE）of ionic liquid containing systems is of great import...Ionic liquids have received increasing attention for their potential uses as non-wolatile separation and reaction solvents, and the liquid-liquid equilibrium（LLE）of ionic liquid containing systems is of great importance for such practical applications.The NRTL（non-random two liquid）equation was extended and used in this paper for the calculation of the LLE data of some ionic liquid-alcohol binary systems.It was found that the extended NRTL model could be accurately used to represent the LLE of these ionic liquid-alcohol systems with the average absolute deviations lower than 0.6%.The LLE data of two ternary systems, H2O-n-butanol-[bmim]PF6 and H2O-n-butanol-[omim]PF6, were further successfully predicted for the first time by using the NRTL binary parameters.展开更多
The solubility curve and density curve of 1-butyl-3-methylimidazolium tetrafluoroborate-water-sodium carbonate system ([Bmim]BF4-H2O-Na2CO3) were measured with the turbidity titration method at 30℃ under atmospheric ...The solubility curve and density curve of 1-butyl-3-methylimidazolium tetrafluoroborate-water-sodium carbonate system ([Bmim]BF4-H2O-Na2CO3) were measured with the turbidity titration method at 30℃ under atmospheric pressure and were correlated with empirical equations.The liquid-liquid equilibrium data of the system were measured with the turbidity-density method and the phase diagram was constructed.As shown by experimental results, one phase of the aqueous two-phase system was composed mainly of water and ionic liquid whereas the sodium carbonate concentration was very low, the other phase was composed mainly of water and sodium carbonate whereas the ionic liquid concentration was very low.The system could be used for extraction and separation.It could also be used for primary separation and recovery of ionic liquids from aqueous solution.Othmer-Tobias and Bancroft equations were used for correlation of the liquid-liquid equilibrium data, but the result was not satisfactory.The maximum relative error was about 94.99%, and the maximum average relative error was about 15.69%.A new method for the correlation by using Othmer-Tobias and solubility equations was proposed.The maximum relative error was about 4.52%, and the maximum average relative error was about 2.77%.The calculated results were in good agreement with experimental data.The method could be used for correlation of liquid-liquid equilibrium for the system with a low content of one component.展开更多
测定了近临界状态下甲醇-大豆油二元体系的液液相平衡数据,温度、压力范围分别为381.2～472.2 K、9.79～18.16 MPa。用PR状态方程关联了所测的液液相平衡数据。PR方程中的参数a和b采用van der Walls单流体混合规则。采用单参数van der W...测定了近临界状态下甲醇-大豆油二元体系的液液相平衡数据,温度、压力范围分别为381.2～472.2 K、9.79～18.16 MPa。用PR状态方程关联了所测的液液相平衡数据。PR方程中的参数a和b采用van der Walls单流体混合规则。采用单参数van der Waals模型计算交互参数项aij和bij,二者各包含一可调参数kij和lij。对可调参数kij和lij,采用了与温度无关和与温度有关两种处理方法,并根据实验数据估计了可调参数值。采用与温度无关的可调参数时,用PR方程关联实验数据所得均方偏差和平均偏差(按质量分数计)分别为0.0391和0.0166;采用与温度有关的可调参数时,均方偏差和平均偏差相应为0.0380和0.0162。表明PR状态方程适用于近临界状态下甲醇与大豆油的液液相平衡计算。展开更多
文摘通过COSMO-RS模型筛选出1-乙基-3-甲基咪唑三氟乙酸盐([EMIM][TFA])、1-乙基-3-甲基咪唑二氰胺盐([EMIM][DCA])、1-乙基-3-甲基咪唑磷酸二乙酯([EMIM][DEP])三种离子液体作为萃取剂分离正己烷-异丙醇体系。在303.15 K、101.3 kPa下,测定正己烷+异丙醇+[EMIM][DCA]/[EMIM][TFA]/[EMIM][DEP]的三元液液相平衡实验数据,通过计算得出选择性与分配系数,分析离子液体各自的分离性能。通过Othmer-Tobias,Bachman,Hand方程对实验数据进行一致性检验。采用Aspen Plus v11流程模拟软件中NRTL模型进行数据关联拟合,获得均方根偏差(RMSD)和二元交互作用参数。模拟结果表明,选择性与分配系数均大于1,说明三种离子液体均可作为萃取剂;方程的回归系数均大于0.95,说明实验数据可靠;得到RMSD均小于3%,说明模拟计算数据能较好地关联实验数据。
文摘针对甲基丙烯酸(MAA)与水(H_(2)O)形成共沸混合物、MAA水溶液分离难的问题,开展了MAA水溶液提纯过程萃取剂筛选、MAA H_(2)O萃取剂三元液液相平衡数据测定与关联等研究。通过对甲苯、正己烷、环己烷、邻苯二甲酸二丁酯(DBP)4种萃取剂的萃取效率进行考察,确定DBP为综合性能最优的萃取剂。测定了常压条件下20、30、40℃时H_(2)O MAA DBP三元体系的液液相平衡数据,实验结果通过了Hand方程和Othmer Tobias方程对相平衡数据的一致性验证,线性相关性系数R^(2)值超0.99。使用UNIQUAC模型来拟合实验数据得到三组分二元交互作用参数,模型预测值与实验值的均方根偏差小于0.07,表明实验数据及拟合参数均有较高的准确性,为DBP应用于工业MAA水溶液提纯过程开发提供基础。
文摘文中采用平衡釜法测定在常压下温度为303.15 K时{[BMIM][TFA](一丁基三甲基咪唑三氟乙酸盐)、[BMIM][DCA](一丁基三甲基咪唑双氰胺盐)和[BMIM][SCN](一丁基三甲基咪唑硫氰酸盐)}+乙醇+庚烷三元体系的液液相平衡数据,使用Bachman方程和Othmer-Tobias方程对实验数据的热力学一致性进行检验,其线性相关系数均大于0.99。通过实验数据计算的分配系数和选择性比较了3种离子液体的分离性能,利用Aspen Plus v11模拟软件对实验数据回归得到二元相互作用参数,对比实验值得到的E_(RMSD)均小于4%。综上所述,使用离子液体萃取分离乙醇-庚烷体系是可行的,其中双氰胺根离子液体具有更好的探究价值。
文摘Ionic liquids have received increasing attention for their potential uses as non-wolatile separation and reaction solvents, and the liquid-liquid equilibrium（LLE）of ionic liquid containing systems is of great importance for such practical applications.The NRTL（non-random two liquid）equation was extended and used in this paper for the calculation of the LLE data of some ionic liquid-alcohol binary systems.It was found that the extended NRTL model could be accurately used to represent the LLE of these ionic liquid-alcohol systems with the average absolute deviations lower than 0.6%.The LLE data of two ternary systems, H2O-n-butanol-[bmim]PF6 and H2O-n-butanol-[omim]PF6, were further successfully predicted for the first time by using the NRTL binary parameters.
文摘The solubility curve and density curve of 1-butyl-3-methylimidazolium tetrafluoroborate-water-sodium carbonate system ([Bmim]BF4-H2O-Na2CO3) were measured with the turbidity titration method at 30℃ under atmospheric pressure and were correlated with empirical equations.The liquid-liquid equilibrium data of the system were measured with the turbidity-density method and the phase diagram was constructed.As shown by experimental results, one phase of the aqueous two-phase system was composed mainly of water and ionic liquid whereas the sodium carbonate concentration was very low, the other phase was composed mainly of water and sodium carbonate whereas the ionic liquid concentration was very low.The system could be used for extraction and separation.It could also be used for primary separation and recovery of ionic liquids from aqueous solution.Othmer-Tobias and Bancroft equations were used for correlation of the liquid-liquid equilibrium data, but the result was not satisfactory.The maximum relative error was about 94.99%, and the maximum average relative error was about 15.69%.A new method for the correlation by using Othmer-Tobias and solubility equations was proposed.The maximum relative error was about 4.52%, and the maximum average relative error was about 2.77%.The calculated results were in good agreement with experimental data.The method could be used for correlation of liquid-liquid equilibrium for the system with a low content of one component.
文摘测定了近临界状态下甲醇-大豆油二元体系的液液相平衡数据,温度、压力范围分别为381.2～472.2 K、9.79～18.16 MPa。用PR状态方程关联了所测的液液相平衡数据。PR方程中的参数a和b采用van der Walls单流体混合规则。采用单参数van der Waals模型计算交互参数项aij和bij,二者各包含一可调参数kij和lij。对可调参数kij和lij,采用了与温度无关和与温度有关两种处理方法,并根据实验数据估计了可调参数值。采用与温度无关的可调参数时,用PR方程关联实验数据所得均方偏差和平均偏差(按质量分数计)分别为0.0391和0.0166;采用与温度有关的可调参数时,均方偏差和平均偏差相应为0.0380和0.0162。表明PR状态方程适用于近临界状态下甲醇与大豆油的液液相平衡计算。
