简单计量系数反应方程  

Simple Stoichiometric Reactions

作　　者：胡山鹰[1] 李明恒[1] 李有润[1] 沈静珠[1] 

机构地区：[1]清华大学化工系过程工程与生态工业研究中心,北京100084

出　　处：《过程工程学报》2004年第6期544-548,共5页The Chinese Journal of Process Engineering

基　　金：国家自然科学基金重点资助项目(编号:29836140)

摘　　要：对反应路径综合问题提出了简单计量系数反应方程的概念,通过对反应原子矩阵的数学变换可以直接枚举出物理意义明确的所有简单计量系数反应方程,从中即可容易地筛选出所需的反应路径方案. 为进一步解决更为复杂的反应路径综合问题奠定了基础.It is a key step for reducing waste generation in chemical processes to design optimal reaction paths. In this paper, a new conception of simple stoichiometric reaction is proposed for the reaction path synthesis problem. A simple stoichiometric reaction is the reaction in which the freedom of atomic matrix formed by reactants and resultants is 1 and also fulfils the atomic balance equations. The simple stoichiometric reactions greatly reduce the number of reaction equations, so as to reduce lots of search space in reaction path synthesis. All simple stoichiometric reactions can be obtained by mathematical transformation for atomic matrix of a reaction system, and the best one is then easily to be chosen. This conception is an important basis for much more complex problems.

关 键 词：反应路径综合 废物最小化 简单计量系数反应 原子矩阵 

分 类 号：TQ021.8[化学工程]