摘要
为在过程早期获取健康、安全和环境(Health,Safety and Environment,HSE)较好的化学反应路径,提出了考虑HSE的反应路径综合策略,通过原料筛选规则、本质HSE评价和非线性优化综合得到优良的反应路径。结合本质安全原理和物质属性,制定了原料筛选规则,消除危害性物质:通过本质HSE评价得到各原料物质的指标值;以HSE指标为目标函数,建立NLP反应路径综合模型,求解得到优良的反应路径组合。将该方法应用于氯乙烯反应路径综合实例,结果表明在反应路径综合同时有效考虑安全、环境和健康因素,以获得较优的反应路径,为过程设计早期决策提供定量依据。
Aimed to obtain chemical reaction path with benign HSE impact during early phase of chemical process, the strategy of reaction path synthesis considering HSE factors is proposed. The benign reaction path will be obtained through material screening rules, inherent HSE evaluation and NLP synthesis. Based on inherent safety principles and material nature, material screening rules are formed to eliminate the substance with extreme hazardous characteristic. The HSE value of every material is obtained by inherent HSE evaluation. Treating the HSE index as the objective function, the NLP model for reaction path synthesis is established. The stoichiometric coefficient of benign reaction path is acquired by solving the model in MATLAB. Finally by analyzing the application of reaction path synthesis for VCM production, the result shows that HSE factors can be considered during reaction path synthesis. The chemical reaction path obtained provides quantified support for process decision-making in early stage of process research.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2013年第1期27-30,共4页
Computers and Applied Chemistry
基金
国家自然科学基金资助项目(20976085)
山东省自然科学基金(ZR2011BL011)
青岛市科技计划基础研究项目(09-01-03-05-JCH)
