Simulation Of Chemical Reaction Process Based On CAPE-OPEN

Computer technology has now became an essential tool of process industry.From 80's of the last century,chemical process simulation softwares have earned enough attention and development,companies like AspenTech and SimSci were established,but software companys were developing independently,incompatible to each other.At the initiative of AspenTech,in 1990 s EU formulated and proposed the CAPE-OPEN interface,a set of standard interfaces which has now become a commonly used standard of process simulation softwares.Chemical reaction process is the key point of chemical process research,because of its breadth and complexity,it is also the most important and difficult part of the simulation of the whole process.Therefore,development of interactive reaction unit operation blocks which is compatible to different simulation softwares is of great practical significance.Using C++,seven reactor unit operation blocks and a public reaction module has been developed,fully compatible with the CAPE-OPEN standards,can interoperate with the mainstream simulation softwares which supports CAPE-OPEN standard,such as Aspen Plus and Hysys.According to the conventional classification methods,reactors have been divided into simple reactors,kinetic reactors and thermodynamic reactors depending on the difference of their models.Firstly,the mathematical models of variours reactors have been summarized,and the methods of solving these models have been discussed.Then,by referring to the CAPE-OPEN standard,seven reactor unit operation blocks have been developed.The reactor was developed as stoichiometric reactor,yield reactor,three rate reactor,equilibrium reactor,Gibbs free energy minimize reactor,continuous stirring tank reactor,plug flow reactor,and a common reaction module,contains a general reaction package which can be used to calculate various properties of equilibrium reactions and kinetic reactions by user-defined paramters.The reactors can be invoked by the simulator,and contain GUI interfaces to obtain user-specified parameters.After enough parameters are provided and material streams are correctly connected to the unit operation blocks,the unit operation blocks can process the calculation of reactions.Finally,by calculating examples through these unit operation blocks,the result shows that the implementation of mathematical models and modules can simulate the actual process accurately.The combination of the CAPE-OPEN standard and the reaction process has a strong foundational and practical value for the reaction process simulation,and build a foundation of developing more complex reators.