化工过程本质安全化设计关键基础问题研究

Based on the background of chemical process safety, researches on the key basic problems of inherent safety design for chemical process will be carried out. In the scientific level, the structure risks and assessment models of dangerous chemicals will be researched. The dominant structural features of molecules that are relevant to variations in each hazardous characteristic will be detected and identified, and the influence rules of these structural features on each characteristic will be investigated. The activation and inhibition mechanism of reactive chemicals will be studied. The main influence factors and the mechanism and law of their synergistic effect on thermal hazard will be investigated. A new comprehensive parameter based on hazardous characteristics as well as quantitative risk assessment technique system for evaluating the risks of various hazardous chemicals will be proposed. Both the criterions of screening of reactants and assessment on the risk will be established. The dynamics and disaster-causing mechanism of thermal runaway in typical strongly exothermal chemical process will be studied. A new critical criterion model of thermal runaway applicable to simple and complex reaction network will be established in discontinuous reaction system. Thermal runaway evolution and control mechanism in typical chemical process will be investigated. The influencing factors and regularities of the inhibition process of runaway reaction will be revealed. According to the purpose of material screening and safety design in reaction system, the risk characteristic indices of the typical chemical process system will be revealed and extracted. The quantitative risk assessment index system for the inherent safety degree of chemical process will be constructed, and the corresponding comprehensive evaluation model and method based on the energy release rate will be proposed, which could provide theoretical supports for the risk assesement and classification of chemical process as well as the development of process technology with inherent safety.

本研究以化工过程安全为背景，开展化工过程本质安全化设计的关键基础问题研究。在科学层面上，研究危险化学品结构危险性及评估模型，揭示影响化学品危险特性的特征结构因素及其影响规律；研究反应性化学物质的活化与抑制机理，揭示化学品热危险性的主要影响因素及其协同作用机制及规律；提出基于危险特性参数的化学品风险评估综合量化指标及定量评估技术体系，建立反应物筛选与危险度评估的判别准则。研究典型强放热化工过程反应热失控动力学及致灾机制，建立适用于简单反应及复杂反应网络的非连续反应系统热失控临界判据模型，研究系统热失控的演化与抑制机理，揭示失控反应抑制过程的影响因素及作用规律。针对反应系统物料筛选、反应过程的安全设计，研究提取系统危险特征指标，建立化工过程本质安全度定量评估指标体系，提出基于能量释放速率的工艺本质安全度综合评价模型与方法，为化工过程本质安全度评价、分级及本质安全工艺技术开发提供理论支撑。

本项目开展化工过程本质安全化设计关键基础问题研究，揭示危险化学品的固有结构危险性及结构致灾机理，提出基于分子结构参数的化学品危险特性定量预测模型与方法，建立了综合考虑风险概率与事故后果的化学品风险评估方法；提出基于热点雅克比矩阵迹的间歇式反应系统热失控临界判据模型；分别叠加单步反应的反应数和放热数，结合目标温度与引发二次反应临界温度，提出改进安全界限图法预测半间歇式自催化复杂反应临界参数；揭示热失控反应抑制过程的影响因素及作用规律；构建基于风险矩阵、特征温度评估和多步反应前后相互影响的多步反应热失控风险评估体系；建立事故概率与临界判据相耦合的反应热失控定量风险评估方法；从物料、反应路线、工艺参数、操作条件等角度，基于未确知测度理论，建立化工过程本质安全度综合评估方法。