In this paper was extended the HV-type mixing rules to Harmens-Knapp cubic equation state(HK CEOS). The new HV-type mixing rule with HK CEOS was tested for Vapor-liquid equilibrium(VLE) of different polar and nonpolar...In this paper was extended the HV-type mixing rules to Harmens-Knapp cubic equation state(HK CEOS). The new HV-type mixing rule with HK CEOS was tested for Vapor-liquid equilibrium(VLE) of different polar and nonpolar systems. The tested results are in good agreement with existing experimental data within a wide range of temperatures and pressures. In comparison with the VDW mixing rule, the new mixing rule gives much better predictions for the VLE of nonpolar and polar systems.展开更多
In this paper, the LCVM mixing rule is extended to the multi-parameter equations of state by combining infi- nite-pressure and zero-pressure mixing rule models. The new LCVM-type mixing rule, coupled with Patel-Teja e...In this paper, the LCVM mixing rule is extended to the multi-parameter equations of state by combining infi- nite-pressure and zero-pressure mixing rule models. The new LCVM-type mixing rule, coupled with Patel-Teja equation of state (EOS) is applied for vapor-liquid equilibria of different polar and non-polar systems in which the NRTL activity coefficient model is used to calculate the excess Gibbs free energy. The tested results agree well with existing experimental data within a wide range of temperatures and pressures. In comparison with the Van der Waals mixing rule, the new mixing rule gives much better corre- lations for the vapor-liquid equilibria of non-polar and polar systems.展开更多
Two alpha functions(BM,SRW) and three different mixing rules(MHV2,WS,HG) for the PR and RKS-EOS were investigated in the vapor-liquid equilibrium calculation of related binary systems for Fischer-Tropsch synthesis oil...Two alpha functions(BM,SRW) and three different mixing rules(MHV2,WS,HG) for the PR and RKS-EOS were investigated in the vapor-liquid equilibrium calculation of related binary systems for Fischer-Tropsch synthesis oil system.Furthermore,two different equations of states(EOS) of SR-POLAR and PC-SAFT,together with two activity coefficient equations of UNIF-DMD and UNIF-HOC were investigated.The results showed that various prediction methods had similar deviations for weakly polar systems.However,these method had different prediction abilities for other systems.UNIF-DMD,RKS-HG and RKS-MHV2 models gave more accurate prediction for non-associating strongly polar system,RKS-MHV2 and UNIF-HOC models showed the smallest deviation for associating strongly polar system containing water,UNIF-HOC and SR-POLAR models showed the smallest deviation for associating strongly polar system containing acids,and UNIF-HOC,SR-POLAR models showed the smallest deviation for other associating strongly polar systems,while RKS-MHV2 and RKS-HG took the second place.PC-SAFT model would bring big deviation for unsymmetrical system when binary parameters were lacking,but would give small deviation for all systems when binary parameters were available.展开更多
本文在假定A∞WOS≈[GE/(RT))]EOS' p->0=[GE(x)/(RT)]solution model 的基础上经过一系列的推导,将原WS 混合规则中的交叉相互怍用参数kij简化为一个只与组份和活度系数模型参数有关的函数,并将该简化后的WS混合规则(WS_S)结合P...本文在假定A∞WOS≈[GE/(RT))]EOS' p->0=[GE(x)/(RT)]solution model 的基础上经过一系列的推导,将原WS 混合规则中的交叉相互怍用参数kij简化为一个只与组份和活度系数模型参数有关的函数,并将该简化后的WS混合规则(WS_S)结合PR状态方程及NRTL活度模型对16对双元混合物的汽液相平衡进行了关联。关联结果表明,在较宽的温度与压力范围内,应用该模型可得到令人满意的结果。与原WS混合规则相比,精度基本相当,但是计算量却得到了一定的减小,并使方程具有一定的预测性,可以更加方便地应用于工程设计计算中。展开更多
本文采用局部组成概念与状态方程相结合的方法,对Van Der Waals单流体混合规则中的校正参数K_(ji)进行了研究,得到了一个随密度变化的局部组成混合规则.新的混合规则可以满足第二维里系数对组成的二次依赖性.同时,对含有水、醇、酮、烷...本文采用局部组成概念与状态方程相结合的方法,对Van Der Waals单流体混合规则中的校正参数K_(ji)进行了研究,得到了一个随密度变化的局部组成混合规则.新的混合规则可以满足第二维里系数对组成的二次依赖性.同时,对含有水、醇、酮、烷烃、芳烃、酯、二氧化碳等的流体从低压到高压的二十多个二元体系的相平衡计算结果表明,它不仅保持了立方型状态方程原有的对低密度流体的优良适用性,而且改善了其计算高密度流体混合物性质的精度.展开更多
文摘In this paper was extended the HV-type mixing rules to Harmens-Knapp cubic equation state(HK CEOS). The new HV-type mixing rule with HK CEOS was tested for Vapor-liquid equilibrium(VLE) of different polar and nonpolar systems. The tested results are in good agreement with existing experimental data within a wide range of temperatures and pressures. In comparison with the VDW mixing rule, the new mixing rule gives much better predictions for the VLE of nonpolar and polar systems.
基金Project (No. 50276054) supported by the National Natural Science Foundation of China
文摘In this paper, the LCVM mixing rule is extended to the multi-parameter equations of state by combining infi- nite-pressure and zero-pressure mixing rule models. The new LCVM-type mixing rule, coupled with Patel-Teja equation of state (EOS) is applied for vapor-liquid equilibria of different polar and non-polar systems in which the NRTL activity coefficient model is used to calculate the excess Gibbs free energy. The tested results agree well with existing experimental data within a wide range of temperatures and pressures. In comparison with the Van der Waals mixing rule, the new mixing rule gives much better corre- lations for the vapor-liquid equilibria of non-polar and polar systems.
文摘Two alpha functions(BM,SRW) and three different mixing rules(MHV2,WS,HG) for the PR and RKS-EOS were investigated in the vapor-liquid equilibrium calculation of related binary systems for Fischer-Tropsch synthesis oil system.Furthermore,two different equations of states(EOS) of SR-POLAR and PC-SAFT,together with two activity coefficient equations of UNIF-DMD and UNIF-HOC were investigated.The results showed that various prediction methods had similar deviations for weakly polar systems.However,these method had different prediction abilities for other systems.UNIF-DMD,RKS-HG and RKS-MHV2 models gave more accurate prediction for non-associating strongly polar system,RKS-MHV2 and UNIF-HOC models showed the smallest deviation for associating strongly polar system containing water,UNIF-HOC and SR-POLAR models showed the smallest deviation for associating strongly polar system containing acids,and UNIF-HOC,SR-POLAR models showed the smallest deviation for other associating strongly polar systems,while RKS-MHV2 and RKS-HG took the second place.PC-SAFT model would bring big deviation for unsymmetrical system when binary parameters were lacking,but would give small deviation for all systems when binary parameters were available.
文摘本文在假定A∞WOS≈[GE/(RT))]EOS' p->0=[GE(x)/(RT)]solution model 的基础上经过一系列的推导,将原WS 混合规则中的交叉相互怍用参数kij简化为一个只与组份和活度系数模型参数有关的函数,并将该简化后的WS混合规则(WS_S)结合PR状态方程及NRTL活度模型对16对双元混合物的汽液相平衡进行了关联。关联结果表明,在较宽的温度与压力范围内,应用该模型可得到令人满意的结果。与原WS混合规则相比,精度基本相当,但是计算量却得到了一定的减小,并使方程具有一定的预测性,可以更加方便地应用于工程设计计算中。
文摘本文采用局部组成概念与状态方程相结合的方法,对Van Der Waals单流体混合规则中的校正参数K_(ji)进行了研究,得到了一个随密度变化的局部组成混合规则.新的混合规则可以满足第二维里系数对组成的二次依赖性.同时,对含有水、醇、酮、烷烃、芳烃、酯、二氧化碳等的流体从低压到高压的二十多个二元体系的相平衡计算结果表明,它不仅保持了立方型状态方程原有的对低密度流体的优良适用性,而且改善了其计算高密度流体混合物性质的精度.
