Abstract

The work is devoted to the development of multiscale approach for modeling the multiphase flows of liquid and gaseous hydrocarbons in plants for the processing of organic fuels. One of the important stages of such processing is the purification of crude oil or natural gas from various kinds of contaminants (metal particles, solid organic compounds, etc.). To model the cleaning processes, the multiscale mathematical model has been proposed that combines macroscopic and microscopic descriptions of multiphase fluid flows in the channel of the treatment system. As a test of the model, the problem of purifying natural gas from hydrogen sulfide by passing a contaminated fluid through a porous material is considered. The general mathematical model of the flow of a contaminated gas mixture consists of two main parts. The first part is related to the macroscopic scale of the treatment system and includes modified quasigasdynamic and quasihydrodynamic equations for describing multiphase multicomponent fluid flows, supplemented by reaction–convection–diffusion equations for the concentrations of harmful impurities. The second part of the model describes processes in the boundary layers and is based on the equations of analytical chemistry and molecular dynamics. An explicit algorithm has been developed for the numerical implementation of the macroscopic model. The aim of the work is a physically substantiated formulation of all components of the model and a preliminary calculation of microflow in a porous material.

中文翻译：

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多相流体流动 HPC 模拟的多尺度方法的开发

摘要

这项工作致力于开发多尺度方法，以模拟用于处理有机燃料的植物中液态和气态碳氢化合物的多相流。这种处理的重要阶段之一是从各种污染物（金属颗粒、固体有机化合物等）中纯化原油或天然气。为了模拟清洁过程，已经提出了多尺度数学模型，该模型结合了处理系统通道中多相流体流动的宏观和微观描述。作为模型的测试，考虑了通过使受污染的流体通过多孔材料来从硫化氢中纯化天然气的问题。受污染气体混合物流动的一般数学模型由两个主要部分组成。第一部分与处理系统的宏观尺度有关，包括用于描述多相多组分流体流动的修正的准气体动力学和准流体动力学方程，辅以用于有害杂质浓度的反应-对流-扩散方程。模型的第二部分描述了边界层中的过程，并基于分析化学和分子动力学方程。已经为宏观模型的数值实现开发了一种显式算法。这项工作的目的是对模型的所有组件进行物理证实的公式，并对多孔材料中的微流进行初步计算。