Research And Development Of Process Simulation Containing Electrolyte

With the rapid development of chemical industry and computer technology,various large-scale general chemical process simulation softwares also came into being.In order to integrate and be compatible with the superiority of each software,the European Union formulated the CAPE-OPEN standard at the end of the 1990 s.This standard regulated the inter-component interface,and make the calculation of chemical process simulation software more practical.Electrolyte solution is indispensable in chemical industry,but also the object of many process processing.At present,electrolyte solution has gradually become a good medium for the reaction of many organic and inorganic substances,and especially widely used in reactive distillation,acid water stripping,amine solution absorption and regeneration,saponification reaction,etc.So the research of electrolyte-containing process simulation is a popular research hotspot in industrial process simulation.Therefore,it is of great industrial practical value and theoretical significance to study the simulation of electrolyte-containing process and develop an electrolyte-containing process simulation calculation package based on CAPE-OPEN standard.This paper studied the existing electrolyte activity coefficient model of electrolyte system and the vapor-liquid equilibrium model of electrolyte system.Also,based on the object-oriented technology,using the Visual C++,an electrolyte-containing process simulation calculation package which supported CAPE-OPEN standard was developed.The merits and drawbacks of the most versatile electrolyte property method currently and their application range were studied and summarized,and mathematical models also were established.Similarly,for the typical simultaneous chemical and phase equilibrium of electrolyte-containing process system,the two main algorithms of mathematical models which contained Equilibrium constant method and Gibbs free energy minimum method were also compared,analyzed and established.The solving methods of each model are elaborated.Based on CAPE-OPEN standard,the electrolyte wizard,electrolyte activity coefficient models(ELECNRTL,Pitzer,B-Pitzer)and Tp flash calculation types in vapor-liquid equilibrium of electrolyte system were all developed.A series of thermodynamic behavior of a simple electrolyte-containing process can be described.Simultaneously,using the SQLite database management system to build a electrolyte database,and a man-machine interactive GUI has been developed which included electrolyte wizard interface,thermodynamic method and route selection interface,logistics parameter input interface,flash module parameters input interface and result output interface,etc.Using the electrolyte process to verify this calculation package,and the maximum relative deviation that calculation results of various thermodynamic properties is 0.68% which compared with the general chemical process simulation softwares,and it showed that the calculation result of the electrolyte-containing process simulation calculation package was relatively accurate.The developed electrolyte-containing process simulation calculation package based on CAPE-OPEN standard can be loaded and invoked successfully with other software,which has great theoretical significance and practical value.It is also possible to study electrolyte thermodynamic model in-depth on the basis of this research,and develop more thermodynamic property methods and phase equilibrium calculation types suitable for the electrolyte system.