Multicomponent transport in plasmas; exploiting stoichiometry

Chris Schoutrop; Jan van Dijk; Jan ten Thije Boonkkamp

doi:10.1016/j.jcp.2020.109979

Multicomponent transport in plasmas; exploiting stoichiometry

Chris Schoutrop (Corresponding author), Jan van Dijk, Jan ten Thije Boonkkamp

Research output: Contribution to journal › Article › Academic › peer-review

Abstract

A system of mass balance equations is set up for plasma-chemical simulations, we derive the diffusion velocities from Stefan-Maxwell theory. An algorithm to linearly transform the system of mass balance equations in the context of non-LTE plasmas is described. This transformation is derived from the reaction set, and eliminates part of the chemical source term, enforces invariants such as conservation of mass and quasi-neutrality up to machine precision, provides a reduction in the number of unknowns, and significantly improves conditioning of the discretized system. The MATLAB code used in the numerical experiments is available on GitLab: https://gitlab.com/ChrisSchoutrop/stoichiometric-transformation.

Original language	English
Article number	109979
Number of pages	25
Journal	Journal of Computational Physics
Volume	428
DOIs	https://doi.org/10.1016/j.jcp.2020.109979
Publication status	Published - 1 Mar 2021

Keywords

Conservation of invariants
Multicomponent transport
Partial elimination chemical sources
Plasma physics
Regularization of diffusion matrix
Stoichiometric transformation

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title = "Multicomponent transport in plasmas; exploiting stoichiometry",

abstract = "A system of mass balance equations is set up for plasma-chemical simulations, we derive the diffusion velocities from Stefan-Maxwell theory. An algorithm to linearly transform the system of mass balance equations in the context of non-LTE plasmas is described. This transformation is derived from the reaction set, and eliminates part of the chemical source term, enforces invariants such as conservation of mass and quasi-neutrality up to machine precision, provides a reduction in the number of unknowns, and significantly improves conditioning of the discretized system. The MATLAB code used in the numerical experiments is available on GitLab: https://gitlab.com/ChrisSchoutrop/stoichiometric-transformation.",

keywords = "Conservation of invariants, Multicomponent transport, Partial elimination chemical sources, Plasma physics, Regularization of diffusion matrix, Stoichiometric transformation",

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AU - ten Thije Boonkkamp, Jan

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N2 - A system of mass balance equations is set up for plasma-chemical simulations, we derive the diffusion velocities from Stefan-Maxwell theory. An algorithm to linearly transform the system of mass balance equations in the context of non-LTE plasmas is described. This transformation is derived from the reaction set, and eliminates part of the chemical source term, enforces invariants such as conservation of mass and quasi-neutrality up to machine precision, provides a reduction in the number of unknowns, and significantly improves conditioning of the discretized system. The MATLAB code used in the numerical experiments is available on GitLab: https://gitlab.com/ChrisSchoutrop/stoichiometric-transformation.

AB - A system of mass balance equations is set up for plasma-chemical simulations, we derive the diffusion velocities from Stefan-Maxwell theory. An algorithm to linearly transform the system of mass balance equations in the context of non-LTE plasmas is described. This transformation is derived from the reaction set, and eliminates part of the chemical source term, enforces invariants such as conservation of mass and quasi-neutrality up to machine precision, provides a reduction in the number of unknowns, and significantly improves conditioning of the discretized system. The MATLAB code used in the numerical experiments is available on GitLab: https://gitlab.com/ChrisSchoutrop/stoichiometric-transformation.

KW - Conservation of invariants

KW - Multicomponent transport

KW - Partial elimination chemical sources

KW - Plasma physics

KW - Regularization of diffusion matrix

KW - Stoichiometric transformation

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JO - Journal of Computational Physics

JF - Journal of Computational Physics

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Multicomponent transport in plasmas; exploiting stoichiometry

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Keywords

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