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双语推荐：NRTL方程

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在常压下测定了水-乙醇-甲基异丁基甲酮体系在308.15,318.15,328.15 K的液液相平衡数据。用Hand方程和Othmer-Tobias方程对实验数据进行拟合,结果表明：Hand方程拟合效果优于Othmer-Tobias方程。采用NRTL模型和UNIQUAC模型对实验数据进行了关联,回归得到了该三元物系的二元交互参数;并对此物系的相平衡数据进行了预测,由模型计算值和实验值的均方根偏差知,NRTL模型能更好地与实验数据吻合。
The liquid-liquid equilibrium (LLE)data for the ternary system of water-ethanol-methyl isobutyl ketone at 308.15,318.15,328.15 K were measured under atmospheric pressure.The reliability of experimental LLE data was ascertained through Hand and Othmer-Tobias equations.It shows that Hand equation is better than Othmer-Tobias equation to fit the experimental data.The activity coefficient models of universal quasi-chemical (UNIQUAC)and nonrandom two-liquid (NRTL)were used to correlate the data of the investigated system by Aspen Plus.With the parameters obtained from the two models,the compositions of LLE were compared with the corresponding experimental data.The results reveal that the calculated values from NRTL models agree well with the experimental values.

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为了回收聚苯硫醚生产中的助剂氯化锂,对氯化锂、氯化钠在溶剂NMP（N-甲基吡咯烷酮）中的溶解性能进行了研究。利用激光衍射辅助法在297.95～364.75 K温度范围内对氯化锂、氯化钠在NMP中的溶解度进行了测定,并用经验方程、λh方程、改进的NRTL方程对氯化锂在NMP中的溶解度数据进行关联。结果证明,改进的NRTL方程的拟合结果最好,平均相对偏差仅为0.41%,可适用于较高温度下氯化锂-NMP体系溶解度的数据估计。
In order to recover the additive lithium chloride in the polyphenylene sulfide production, the disolution of lithium chloride and sodium chloride in solventN-methyl pyrrolidone (NMP) was studied. By using laser diffraction assistance method, solubility data of lithium chloride and sodium chloride in NMP were measured between 297.95 K and 364.75 K. Empirical formula,λh equation and improved NRTL equation were used to correlate the solubility data of lithium chloride in NMP. The results show that the solubility of lithium chloride increases with temperature while that of sodium chloride almost keeps unchanged. The improved NRTL equation can predict the solubility data well and the relative average error is 0.41%. Thus the K-NRTL equation is most suitable for description of solid-liquid equilibrium of lithium chloride in NMP at high temperature.

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采用平衡釜法测定了三元体系（环己烷＋正庚烷＋N，N-二甲基甲酰胺）在常压不同温度（30，40，50℃）下的液液相平衡数据。实验数据用Bachaman及Othmer-Tobias进行可靠性关联，关联结果表明数据的可靠性较好，根据实验结果绘制了三元相图。对不同温度下的液液平衡实验数据，分别用NRTL和UNIQUAC活度系数方程进行了关联，求得方程的二元交互作用系数，关联结果表明NRTL和UNIQUAC方程对该体系适用较好。由实验数据计算得到衡量N，N-二甲基甲酰胺抽提性能的参数（分配系数、分离因子、选择性系数）。
Liquid-liquid equilibrium (LLE) data were measured for ternary system (n-heptane-cyclohexane-N,N-dimethylformamide) at atmospheric pressure and different temperatures (30, 40, 50 ℃).The experimental data were correlated using the Bachman and the Othmer-Tobias correlation , and the results showed a good correlation . Complete phase diagrams were obtained by tie-line data and determining solubility .The universal quasichemical activity coefficient ( UNIQUAC) and the non-random two-liquid equation ( NRTL) were used to predict the phase equilibrium in the system by the interaction parameters from the experimental data .It shows that UNIQUAC and NRTL used for LLE can provide a good correlation .The separation factors , distribution coefficients and selectivity were obtained according to the experimental data .

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采用自制的Rose釜在绝压2 kPa下测定γ-丁内酯-二乙二醇二元系的汽液平衡数据,并对所测得的数据进行热力学一致性检验,结果表明实验数据符合热力学一致性。以汽相组成的误差平方和作为目标函数,分别用Wilson和NRTL方程关联实验数据,得到分子交互作用能量参数,并对汽液平衡计算值与实验值进行比较,发现二者最大偏差为0.0143,平均偏差0.0063。采用溶液浓度三次方程分别对Wilson和NRTL方程进行修正,修正后二者最大偏差0.0094,平均偏差0.0036,明显优于修正前的结果,可满足工程上分离设计的需要。
The vapor-liquid equilibrium (VLE) data of the γ-butyrolactone-diethylene glycol system were measured at 2kPa using a home-made Rose vapor-liquid equilibrium device, and the thermodynamic consistency of the experimental data were examined. The results show that the experimental data are thermodynamically consistent. The VLE data obtained were correlated with Wilson and NRTL equation respectively, and model parameters were determined. Comparison of the experimental data with fitting equation results shows that the maximum deviation and the average absolute deviation are 0.0143 and 0.0063, respectively. A cubic polynomial modification of the Wilson and NRTL equation considering the molar composition of the liquid phase was proposed. The results show that the maximum deviation and the average absolute deviation of the modified equations are 0.0094 and 0.0036, which indicates that the modified models are better for engineering separation design.

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用改进的Rose釜测定了101.3 kPa下异丙醇-异丁醇、异丙醇-正丁醇、异丁醇-正丁醇3个二元体系及异丙醇-异丁醇-正丁醇1个三元体系的汽液平衡数据。3组两元汽液平衡数据均通过了Herington热力学一致性检验,三元汽液平衡数据也通过了McDermett-Ellis热力学一致性检验。分别用Wilson、NRTL和UNIQUAC方程对二元汽液平衡数据进行了关联,得到了相应的模型参数及关联偏差。对于3个二元体系而言,Wilson和UNIQUAC模型方程比NRTL模型方程的关联效果好。最后运用关联得到的Wilson二元交互作用参数预测了三元体系的汽液平衡数据,平衡温度的平均绝对偏差为0.52℃,异丙醇的汽相摩尔组成平均绝对偏差为0.0057,异丁醇的汽相摩尔组成平均绝对偏差为0.0048,实验值与预测值基本吻合。
Isobaric vapor-liquid equilibrium (VLE) data for 2-propanol+isobutanol, 2-propanol+ 1-butanol, isobutanol+1-butanol and 2-propanol+isobutanol+1-butanol were measured at 101.3 kPa by an improved Rose still. All the binary VLE data have passed the thermodynamic consist test proposed by Herington. The ternary VLE data also have passed the McDermett-Ellis thermodynamic consist test. The parameters and regression deviations for the Wilson, NRTL and UNIQUAC equations were obtained by correlating the binary VLE data. For the above three pairs of binary system, it was found that the correlation results of the Wilson and UNIQUAC equations are better than that of NRTL equation. At last, a prediction for the ternary VLE system was given by the correlated Wilson binary parameters. The average absolute deviation for equilibrium temperature is 0.52℃; the average absolute deviations for vapor-phase mole fraction of 2-propanol and isobutanol are 0.0057 and 0.0048, respectively. So the ternary data of

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采用汽液双循环平衡釜，在常压（101.3 kPa）下测定了丙酮-丙酮连氮二元组分物系以及部分丙酮-水-丙酮连氮三元组分物系的汽液平衡数据。实验数据经Herington面积积分法检验符合热力学一致性。通过化工过程模拟软件，分别采用 Wilson、NRTL、UNIQUAC 活度系数模型对丙酮-丙酮连氮二元组分物系实验数据进行关联得到模型参数。并对汽液平衡的计算值与实验值进行比较，3种模型都吻合良好，其中由NRTL方程关联得到的计算结果最为适合，平均温度偏差和汽相组成偏差分别为0.0639 K和0.0048。从三元汽液相平衡数据中拟合出了丙酮-丙酮连氮、丙酮-水、水-丙酮连氮之间的 NRTL 方程相互作用参数。为验证数据及其二元相互作用参数的可靠性，利用关联出的丙酮-丙酮连氮模型参数计算出汽相组成与丙酮-丙酮连氮的二元数据比较，二者符合较好。实验和关联的结果为精馏分离丙酮-水-丙酮连氮汽液平衡体系提供了一定的基础数据。
Vapor-liquid equilibrium (VLE) data for acetone-azine binary system and parts of acetone water azine ternary system were determined in an Othmer equilibrium at atmospheric pressure (101.3 kPa). The experimental data was verified by Herington method and were consistent with thermodynamics. The data of acetone-azine binary system were correlated with the NRTL,Wilson and UNIQUAC models by using chemical engineering analogue software. Respectively,all the models were correlated well with the VLE data. NRTL model produced best data,with the average deviations of temperature of 0.0639 K and vapor-phase mole fraction of methanol of 0.0048. The NRTL model was used to correlate the VLE data of the ternary system,and the interaction parameters of acetone-azine,water-azine,and acetone-water were obtained. In order to verify the reliability of the VLE data of the ternary system and these interacting binary parameters,the vapor compositions were calculated and compared with the corresponding experi

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由于乙醇-甲苯体系为压力敏感体系,本文提出了热集成变压精馏分离乙醇-甲苯共沸体系的工艺方法,并通过实验数据验证了NRTL模型对模拟分离该体系的适用性。利用Aspen模拟软件,以NRTL方程为物性计算模拟,以乙醇和甲苯的纯度为约束变量,分离过程能耗最低为目标函数,采用优化分析,得到了模拟的优化参数,并通过模拟计算,制取了纯度不低于99.9%的甲苯和乙醇产品,收率达到99.9%以上。用高压塔的塔顶气相潜热作为常压塔再沸器热源的热集成变压精馏,与两塔均采用外界蒸汽供热的传统变压精馏方式相比,节能高达49%。
Pressure swing distillation process with heat integration was proposed for separation of the ethanol-toluene mixture because of its pressure sensitivity. Vapor-liquid equilibria(VLE)data for the toluene-ethanol mixture were measured using a VLE recirculating still. The experimental data verified that NRTL model can be successfully applied to VLE prediction of this system. The optimum simulation was performed using the RadFrac pattern of Aspen Plus and NRTL equation,aiming at minimizing the energy consumption at fixed purities of ethanol and toluene. Due to relatively low boiling point of ethanol-toluene mixture,high-low pressure columns were selected. The optimal process parameters such as the total number of theoretical plate,reflux ratio,feeding position, operating pressure and circulating ratio were specified by using optimizing analysis. The obtained purities and the yields of the products were more than 99.9%. The results showed that pressure swing distillation process with heat i

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对固体碱催化剂催化固定床法工业化生产生物柴油进行了模拟．顺利进行了小试实验，并建立了生物柴油合成的酯交换反应的动力学模型，该模型能较为准确地描述酯交换反应．通过对文献中的气液平衡数据的回归得到了生物柴油的安托因方程．选择NRTL模型对脂肪酸甲酯（FAME）-甲醇-甘油体系进行描述，得到了体系NRTL的二组分参数，利用AspenPlus对该体系液液平衡数据（LLE）的回归得到了三组分相图．为了预测固定床工艺生产在工业规模放大1000倍后的效果，AspenPlus对2个流程进行了仿真模拟，预测物料和能量消耗．模拟结果表明，与先前文献报道的数据相比，每小时生产每吨生物柴油至少可以减少350．42kW的能量消耗．
Biodiesel industrial production based on a solid base catalyst in a fixed-bed was simulated.The lab and bench scale experiments were carried out effectively in which the kinetic model is established and it can describe the transesterification reaction well.The Antoine equation of biodiesel is regressed with the vapor-liquid data cited of literature.The non-random two liquid NRTL model is applied to describe the system of fatty acid methyl ester FAME methanol and glycerol and parameters are obtained.The Ternary phase map is obtained from Aspen Plus via the liquid-liquid equilibrium LLE data. In order to describe the production in a fixed-bed performs in industrial scale after being magnified 1 000 times the Aspen Plus simulation is employed where two flowsheets are simulated to predict material and energy consumption.The simulation results prove that at least 350.42 kW energy consumption can be reduced per hour to produce per ton biodiesel compared with data reported in previo

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为了解决水合肼生产中中间产物丁酮连氮与丁酮、水合肼等的分离问题,利用双循环汽液平衡釜,在常压(100 kPa)下测定了丁酮-丁酮连氮体系的汽液平衡数据,并用Herrington规则对测量数据进行热力学一致性检验,实验结果符合热力学一致性。利用化工模拟软件应用热力学方程WILSON,NRTL和UNIQUAC方程对实验数据进行关联和预测。得到了相关的模型参数,结果表明UNIQUAC模型对实验数据的吻合性最好,汽相组成的计算值与实验值最大绝对偏差不超过0.03,平均值不超过0.004。为工业分离工艺的设计提供了参考。
The vapor-liquid equilibrium (VLE )data of butanone and methyl ethyl ketazine system were measured by using a double-circulating vapor-liquid equilibrium still at 100 kPa.The thermodynamic consistency of the VLE data was examined by Herrington method and the result was satisfactory.The experimental data were correlated by the Wilson, nonrandom two-liquid (NRTL ), and universal quasichemical activity coefficient (UNIQUAC ) parameter models.All of the models were satisfactorily correlated with the VLE data.The result shows that the UNIQUAC model is the most suitable one to represent the experimental data satisfactorily.The maximum deviation of vapor-phase calculation value and experimental value is less than 0.03,with the average absolute value less than 0.004.It provides a reference for industrial separation processes design of butanone and methyl ethyl ketazine in hydrazine hydrate production process.

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测定了101.3 kPa下甲醇-乙酸甲酯-1-丁基-3-甲基咪唑双三氟甲磺酰亚胺盐（[BMIM］［Tf2N］）体系的汽液平衡，并用NRTL方程对测得的汽液平衡数据进行了回归，得到方程的二元参数。实验表明［BMIM］［Tf2N］能够显著提高甲醇对乙酸甲酯的相对挥发度，并且随着［BMIM］［Tf2N］含量的增加，甲醇对乙酸甲酯的相对挥发度增大。将萃取剂［BMIM］［Tf2N］与1-辛基-3-甲基咪唑六氟磷酸盐（［OMIM］［PF6］）进行了对比，结果表明对于甲醇-乙酸甲酯体系，［BMIM］［Tf2N］具有更高的分离效率。
Abstract:Vapor-liquid equilibrium (VLE) data for methanol-methyl acetate-1-butyl-3-methylimidazolium bis[(trinuoromethyl)sulfonyl] imide ([BMIM] [Tf2N]) at 101.3 kPa were measured.The experimental VLE data were correlated by nonrandom two liquid (NRTL) activity coefficient model,and the binary parameters were obtained.The results show that the ionic liquid [BMIM] [Tf2N] produces a notable salting-out effect,which enhances the relative volatility of methanol to methyl acetate,and relative volatility of methanol to methyl acetate increase with the concentration of [BMIM] [Tf2N] in the system.The e ffects of [BMIM] [Tf2 N] and 1-octyl-3-methylimidazolium hexaflurophosphate ([OMIM] [PF6]) werecompared,and the results indicated that [BMIM] [Tf2N] was more effective for the separation of methanol-methyl acetate system.

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