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Method for simplifying large-scale detailed chemical reaction model of high-carbon fuel

A chemical reaction and simplified model technology, applied in computational theoretical chemistry, chemical process analysis/design, informatics, etc., can solve the problems of large-scale chemical reaction models, complex components, and the inability to obtain simplified chemical reaction models for multi-dimensional combustion simulation. , to meet the needs of multi-dimensional combustion simulation, reduce calculation time, and reduce the number of input variables

Pending Publication Date: 2021-05-04
DALIAN UNIV OF TECH
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Problems solved by technology

The composition of real fuel oil is extremely complex. In order to reproduce the physical and chemical properties of real fuel oil, its characterization fuel is usually composed of components with a huge molecular structure, resulting in an extremely large scale of detailed chemical reaction models
Based on the current detailed chemical reaction model simplification method, it is impossible to obtain a simplified chemical reaction model that satisfies multidimensional combustion simulation in terms of scale and performance

Method used

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  • Method for simplifying large-scale detailed chemical reaction model of high-carbon fuel
  • Method for simplifying large-scale detailed chemical reaction model of high-carbon fuel
  • Method for simplifying large-scale detailed chemical reaction model of high-carbon fuel

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Embodiment Construction

[0045] The present invention will be described in detail below in conjunction with the accompanying drawings and technical solutions.

[0046] A method for simplifying the large-scale detailed chemical reaction model of high-carbon fuels, using this method to simplify the detailed chemical reaction model of isohexadecane, the flow chart is as follows figure 1 shown.

[0047] (1) Large-scale detailed chemical reaction model preprocessing of isohexadecane

[0048] Firstly, according to the maximum number of carbon atoms of the components involved in the reaction, the large-scale detailed chemical reaction model of isohexadecane is divided into 17 sub-models; then the reactions in the sub-models are divided into 26 reaction classes according to the rate rules, such as figure 2 shown. In subsequent calculations, consider the reaction class / submodel as a whole, i.e. for all reactions belonging to the jth reaction class / submodel

[0049]

[0050] Among them, m j is the total...

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Abstract

The invention belongs to the field of numerical simulation of combustion disciplines, and relates to a method for simplifying a large-scale detailed chemical reaction model of high-carbon fuel. A large-scale detailed chemical reaction model of high-carbon fuel is simplified, and a simplified reaction kinetic model meeting multi-dimensional combustion simulation in terms of precision and scale at the same time is obtained. According to the method, a sub-model / reaction class is taken as an object to simplify the large-scale detailed chemical reaction model of high-carbon fuel, the number of input variables is greatly reduced, the calculation time of global sensitivity analysis is shortened, and application of the global sensitivity analysis to the large-scale detailed chemical reaction model becomes possible.

Description

technical field [0001] The invention belongs to the field of numerical simulation of the subject of combustion, and relates to a method for simplifying large-scale detailed chemical reaction models of high-carbon fuels. Background technique [0002] Engines require higher thermal efficiency and lower pollutant emissions to cope with increasingly stringent emissions regulations. With the development of computer technology, multidimensional combustion simulation has become an important tool for new engine design and optimization. To ensure the reliability of multidimensional combustion simulation, a simplified chemical reaction model with compact structure and reliable performance is particularly important. The composition of real fuel oil is extremely complex. In order to reproduce the physical and chemical properties of real fuel oil, its characterization fuel is usually composed of components with huge molecular structure, resulting in an extremely large scale of detailed ...

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Application Information

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IPC IPC(8): G16C10/00G16C20/10G06F30/20G06F119/14G06F111/06
CPCG16C10/00G16C20/10G06F30/20G06F2111/06G06F2119/14
Inventor 常亚超贾明牛波王朋志
Owner DALIAN UNIV OF TECH
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