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LUND UNIVERSITY LIBRARIES

Optimization of species transport data for reduced kinetic mechanisms

Linnér, Anton LU (2018) FYSK02 20182
Department of Physics
Combustion Physics
Abstract
In order to construct more efficient and environmentally friendly fuels, knowledgeabout the combustion process of the fuels needs to be expanded. This can be doneby running simulations in computational fluid dynamics. In order to efficiently runsimulations, reduced kinetic mechanisms of lesser complexity are used. Increasing theaccuracy and knowledge of the chemical reactions involved in these mechanisms is afield that has been frequently researched. The aspect of species or energy transporthas received less attention. The purpose of this paper is to see if optimization ofthe transport properties could combat the loss in accuracy commonly followed by thereduction process of a mechanism .This was done by using a code that... (More)
In order to construct more efficient and environmentally friendly fuels, knowledgeabout the combustion process of the fuels needs to be expanded. This can be doneby running simulations in computational fluid dynamics. In order to efficiently runsimulations, reduced kinetic mechanisms of lesser complexity are used. Increasing theaccuracy and knowledge of the chemical reactions involved in these mechanisms is afield that has been frequently researched. The aspect of species or energy transporthas received less attention. The purpose of this paper is to see if optimization ofthe transport properties could combat the loss in accuracy commonly followed by thereduction process of a mechanism .This was done by using a code that successivelymodified the transport properties and evaluated the results of simulations which werecreated using the modified properties. This was done for two fuels, methanol andpropane, which are different in structure and size. The results showed a significantincrease in accuracy for both fuels when the parameters were optimized. Optimizationof the collision diamter showed tha highest impact for both propane and methanol. Inthe case of methanol, optimization of the well depth and dipole moment also showedsignificant improvements. This makes the optimization of transport properties a fieldwith promising influence on reduced kinetics. (Less)
Please use this url to cite or link to this publication:
author
Linnér, Anton LU
supervisor
organization
course
FYSK02 20182
year
type
M2 - Bachelor Degree
subject
language
English
id
8974208
date added to LUP
2019-11-16 15:11:23
date last changed
2019-11-16 15:11:23
@misc{8974208,
  abstract     = {{In order to construct more efficient and environmentally friendly fuels, knowledgeabout the combustion process of the fuels needs to be expanded. This can be doneby running simulations in computational fluid dynamics. In order to efficiently runsimulations, reduced kinetic mechanisms of lesser complexity are used. Increasing theaccuracy and knowledge of the chemical reactions involved in these mechanisms is afield that has been frequently researched. The aspect of species or energy transporthas received less attention. The purpose of this paper is to see if optimization ofthe transport properties could combat the loss in accuracy commonly followed by thereduction process of a mechanism .This was done by using a code that successivelymodified the transport properties and evaluated the results of simulations which werecreated using the modified properties. This was done for two fuels, methanol andpropane, which are different in structure and size. The results showed a significantincrease in accuracy for both fuels when the parameters were optimized. Optimizationof the collision diamter showed tha highest impact for both propane and methanol. Inthe case of methanol, optimization of the well depth and dipole moment also showedsignificant improvements. This makes the optimization of transport properties a fieldwith promising influence on reduced kinetics.}},
  author       = {{Linnér, Anton}},
  language     = {{eng}},
  note         = {{Student Paper}},
  title        = {{Optimization of species transport data for reduced kinetic mechanisms}},
  year         = {{2018}},
}