基于CAPE-OPEN的化学反应过程模拟研究

发布时间：2018-02-07 10:56

本文关键词： CAPE-OPEN标准单元模块开发反应过程模拟反应器模型　出处：《青岛科技大学》2017年硕士论文　论文类型：学位论文

【摘要】：目前计算机技术已经是过程工业必不可少的重要工具,自上个世纪80年代开始,化工流程模拟软件得到了足够的重视和发展,出现了许多公司如AspenTech、Sim Sci等,但是各软件公司独立发展,互相不兼容。在AspenTech公司的倡议下,上个世纪90年代末欧盟制定并提出了CAPE-OPEN接口标准,即开放式计算机辅助过程工程接口标准,现已成为流程模拟软件的通用标准。化学反应过程是化工过程研究的焦点和核心,由于其广泛性和复杂性,反应过程的模拟也是对全流程进行模拟的重点和难点。因此,开发在不同模拟软件中通用的反应器单元模块,具有重要的实际意义。使用C++编程语言开发7个反应器单元模块和一个公共反应组件,开发的组件完全遵循CAPE-OPEN标准,可以和支持CAPE-OPEN标准的主流模拟软件,如Aspen Plus、Hysys等相互兼容。根据常用的分类方法,将反应器根据模型的不同分为简单反应器、热力学反应器和动力学反应器。首先,总结了各类反应器的数学模型,并探讨其求解方法,对不同反应模型的适用条件进行了研究。然后,结合CAPE-OPEN标准,开发7个典型反应器单元模块:化学计量反应器、收率反应器、三率法反应器、平衡反应器、吉布斯自由能反应器、连续搅拌釜式反应器和平推流反应器,此外还开发了一个公用的反应模块,包含一个通用反应包,可以根据用户提供的反应参数计算反应平衡和反应动力学等多种反应的性质。开发得到的反应器单元模块可以被模拟软件调用,并包含一个GUI界面用于获取用户指定的参数。在提供了足够的参数并将模拟器的物流流股连接到单元模块上之后,单元模块可以进行反应过程的模拟计算。最后,通过对实例进行计算,并将计算结果与其他权威流程模拟软件相比较,结果表明:开发的数学模型和模块可以对常见典型反应过程进行模拟。本文所进行的CAPE-OPEN标准和反应过程开发的结合,对于反应过程模拟具有很强的基础价值和实用价值,为开发更多复杂反应器打下基础。
[Abstract]:At present, computer technology has been an indispensable tool in the process industry. Since -20s, chemical process simulation software has been paid enough attention to and developed. Many companies, such as Aspen TechSim Sci, have emerged. However, the software companies developed independently and were incompatible with each other. At the initiative of AspenTech, at the end of -10s, the European Union formulated and put forward the CAPE-OPEN interface standard, that is, the open computer-aided process engineering interface standard. Chemical reaction process is the focus and core of chemical process research. Because of its universality and complexity, the simulation of reaction process is also the focal point and difficulty of the whole process simulation. It is of great practical significance to develop reactor unit modules which are commonly used in different simulation software. Seven reactor unit modules and one common reaction module are developed with C programming language, and the developed modules conform to the CAPE-OPEN standard completely. Compatible with mainstream simulation software that supports CAPE-OPEN standards, such as Aspen Plus Hysys. According to common classification methods, reactors are divided into simple reactors, thermodynamic reactors and kinetic reactors according to different models. The mathematical models of various reactors are summarized and their solution methods are discussed. The suitable conditions of different reaction models are studied. Then, seven typical reactor unit modules: stoichiometric reactor are developed in combination with CAPE-OPEN standard. A yield reactor, a three-rate reactor, a balanced reactor, a Gibbs free energy reactor, a continuous stirred tank reactor and a pusher reactor were developed. In addition, a common reaction module was developed, including a general reaction package. The properties of reaction equilibrium and reaction kinetics can be calculated according to the reaction parameters provided by the user. The developed reactor unit module can be called by the simulation software. It also contains a GUI interface to get the parameters specified by the user. After providing enough parameters and connecting the flow units of the simulator to the unit module, the unit module can simulate the reaction process. Through the calculation of an example, the results are compared with other authoritative flow simulation software. The results show that the developed mathematical models and modules can simulate common typical reaction processes. The combination of CAPE-OPEN standard and reaction process development in this paper has strong basic value and practical value for reaction process simulation. Lay the foundation for the development of more complex reactors.
【学位授予单位】：青岛科技大学
【学位级别】：硕士
【学位授予年份】：2017
【分类号】：TP319;TQ03

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