Mobility and diffusion coefficients are generally extracted from experimental measurements of ion arrival time distributions using tensors of ranks one and two, i.e., in terms of the diffusion equation that is equivalent to Fick’s second law. The theory is extended here to tensors of rank three. It is shown that under customary circumstances, the generalized diffusion equation only contains a single third-order transport coefficient. This equation is used to generate synthetic data for ions moving through a pure gas. The mobility and diffusion coefficients and third-order transport coefficients inferred from these data are compared with values used to simulate the arrival time distribution. Finally, an existing computer program has been modified in order to compute one component of the third-order transport coefficient, and this program has been applied to Li+ in He.
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28 November 2021
Research Article|
November 22 2021
Third-order transport coefficients of ion swarms
Larry A. Viehland
;
Larry A. Viehland
a)
1
Department of Chemistry, Chatham University
, Pittsburgh, Pennsylvania 15232, USA
a)Author to whom correspondence should be addressed: viehland@chatham.edu
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Emerson Ducasse
;
Emerson Ducasse
1
Department of Chemistry, Chatham University
, Pittsburgh, Pennsylvania 15232, USA
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Michelle Cordier;
Michelle Cordier
2
Department of Mathematics, Chatham University
, Pittsburgh, Pennsylvania 15232, USA
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Aaron Trout;
Aaron Trout
2
Department of Mathematics, Chatham University
, Pittsburgh, Pennsylvania 15232, USA
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Jamiyanaa Dashdorj
Jamiyanaa Dashdorj
3
Department of Physics, Chatham University
, Pittsburgh, Pennsylvania 15232, USA
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a)Author to whom correspondence should be addressed: viehland@chatham.edu
J. Chem. Phys. 155, 204301 (2021)
Article history
Received:
August 03 2021
Accepted:
November 03 2021
Citation
Larry A. Viehland, Emerson Ducasse, Michelle Cordier, Aaron Trout, Jamiyanaa Dashdorj; Third-order transport coefficients of ion swarms. J. Chem. Phys. 28 November 2021; 155 (20): 204301. https://doi.org/10.1063/5.0065616
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