作　　者： ; ; ;

机构地区： 青岛科技大学炼油化工高新技术研究所

出　　处： 《计算机与应用化学》 2010年第8期1033-1036,共4页

摘　　要： 为了在过程早期阶段消除危害因素,获取安全性优良的化学反应路径,提出了考虑安全的反应路径综合策略,通过在反应路径综合中集成原料筛选规则,安全约束和本质安全评价,实现在反应路径综合的同时考虑安全。进而阐述了该策略的实现方法,根据本质安全原理和指标,结合反应路径的火灾、爆炸、毒性等危害,制定了考虑安全的原料筛选规则,从原料组合中消除具有极端危害属性的物质;着眼于反应危害和物质危害,建立了包含安全约束的NLP模型,求解得到较优的化学反应路径组合;通过本质安全评价筛选出相对最优的反应路径。最后将该策略应用于萘甲胺反应路径综合实例,结果表明能够在过程综合阶段有效考虑安全因素,获取安全性优良的化学反应路径,该策略方法为早期的过程决策提供借鉴。 Aimed to eliminate hazards during early phase of chemical process,obtain chemical reaction path with benign safety,the strategy is proposed which considers safety factors during reaction path synthesis.Through integrating material screening rules,safety constrains,inherent safety evaluation,so safety factors can be considered during reaction path synthesis simultaneously.The implement of the strategy involves the following three steps.Based on inherent safety principles and indices,involving fire,explosion,toxicity hazards of reaction path,material screening rules considered safety are formed,which can eliminate the substance with extreme hazardous characteristic from materials.Focus on reaction hazards and substantial hazards,the NLP model involving safety constrains is established,the result of which would be more benign chemical reaction paths. Through inherent safety evaluation,the best relatively benign reaction path can be obtained.Finally by analyzing the application of reaction path synthesis for carbaryl production,the result shows that safety factors can be considered during the early phase of process,and stoichiometric equations of chemical reaction path with benign safety can be acquired,indicating that the strategy is useful in process decision-making.

关 键 词： 反应路径综合 过程安全 本质安全 萘甲胺

领　　域： [环境科学与工程] [化学工程]