危化品爆炸大规模高精度仿真软件研发与应用

Development and applications of large-scale and high order accurate simulation software for hazardous chemical explosion

为精准模拟大尺度化工园区、城市建(构)筑物群、加油/气站等场景内多元、多相危险化学品爆炸传播时空演化,基于多组分反应流Navier-Stokes控制方程,研发高精度保正加权本质无振荡限差分格式、Compact-WENO杂交有限差分格式等先进的数值计算方法;结合网格自适应、计算区域自适应扩大等高效加速算法与信息传递接口并行方法,采用Fortran语言自主开发危化品爆炸高精度有限差分求解器;采用C++语言基于面向对象程序设计方法自主开发适用于有限差分格式的前后处理模块;集成高精度求解器与前后处理模块,自主研发危化品爆炸大规模高精度仿真软件。结果表明:该软件可计算包含任意种组分的化学反应模型,具有多种湍流及湍流燃烧模型,能够实现危化品泄漏-扩散-爆炸全过程数值仿真。

In order to accurately simulate the temporal and spatial evolution of explosion propagation of multi-component and multiphase hazardous chemicals in large-scale chemical parks,urban buildings(structures),refueling/gas stations and other scenarios,based on the multi-component reactive Navier-Stokes governing equation,high order accurate positive-preserving weighted essential non-oscillatory finite difference scheme and,Compact-WENO hybrid finite difference scheme and other advanced numerical schemes were developed.Combining with efficient acceleration algorithms such as adaptive mesh refinement method,adaptive mesh enlargement method and MPI parallel computing method,a high order accurate finite difference solver for hazardous chemical explosion was independently developed by Fortran language.Using C++language based on object-oriented programming method,the pre-processing and post-processing modules for finite difference scheme were developed.Integrating high order accurate solver,pre-processing and post-processing modules,large-scale high order accurate simulation software for hazardous chemical explosion was carried out.The results show that the software can simulate the chemical reaction model containing any kind of components,and has a variety of turbulence and turbulent combustion models.It can realize the numerical simulation of the whole process of hazardous chemical leakage-diffusion-explosion.