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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。
In order to eliminate the harmful factors in the early stage of the process and get the chemical reaction pathway with good safety, a synthesis strategy of safety reaction path was proposed. By integrating the raw material screening rules, safety constraints and intrinsic safety assessment into the reaction path synthesis, Comprehensive at the same time consider safety. Furthermore, the method to realize this strategy is expounded. According to the principles of intrinsic safety and indexes, combined with the hazards of fire, explosion and toxicity in the reaction path, a screening rule of raw materials considering safety is established to eliminate the substances with extremely harmful properties from the raw material combinations. For the reaction hazard and material hazard, an NLP model including safety constraints was established to obtain a better combination of chemical reaction pathways. The relatively optimal reaction path was screened by intrinsic safety evaluation. Finally, this strategy is applied to the comprehensive example of naphthalene methylation reaction route. The results show that the safety factor can be effectively considered in the comprehensive process, and the chemical reaction route with good safety can be obtained. This strategy method can provide reference for the early process decision-making.