Gas Kinetic Theory

Objective: Creation of new theoretical methods for calculating the dynamic properties of multicomponent gases undergoing simultaneous heat, mass, and momentum transport.


Summary: We have modified Neufeld, Janzen, and Aziz (NJA)'s empirical equations, which have been widely used to calculate the reduced collision integrals for the Lennard-Jones (12-6) potential as a function of reduced temperature T* with 2 or 3 digits precision. Unlike NJA's equations, our equations provide the reduced collision integrals with 4 or 5 digits precision over a wider temperature range, 0.3 ≤ T* ≤ 400. Additionally, an algorithm for evaluating source data of the reduced collision integrals with arbitrary precision has been developed with rigorous asymptote analysis and error-estimation. The following figure shows that our values match better than Hirschfelder et al's at high temperature. At T = 800 K, their data had 4.56 % deviation to Trautz and Zink's experimental values; whereas ours had only 2.95 % to it.

Our LJ parameters generate four different gas properties. Each graph includes three gases:

Upcoming Talks

September, 2018

Saber will be giving a talk, "A Complete Characterization of Transport and Thermodynamic Properties for LiPF6 in PC Solutions," at the ISE Conference in Bologna, Italy.

September, 2018

Priyam will be giving a talk, "Non-Isobaric Electrochemical Transport Modelling: Case Study for Nafion," at the ISE Conference in Bologna, Italy.

September, 2018

Howie will be giving a talk, "Parameterizing Large-Format Prismatic Lithium-Ion Cells with Lock-In Thermography" at the ISE Conference in Bologna, Italy.

Recent News

June, 2018

Guanchen was invited to give a talk, "Electrochemomechanics and the Critical Current in LLZO," at Lawrence Berkeley National Lab in Berkeley, California.

May, 2018

Guanchen gave a talk, "Electrochemomechanics in Doped Garnet Lithium-Ion Conductors," at the ECS Conference in Seattle, Washington.
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May, 2018

Priyam gave a talk, "Mechanical Basis of Nafion's High-Frequency Inductive Impedance," at the ECS Conference in Seattle, Washington.
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April, 2018

Guanchen gave a talk, "Electrochemomechanics of space-charge layers in LLZO near lithium metal," at the MRS Spring Meeting in Phoenix, Arizona.
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April, 2018

Guanchen gave a talk, "Modelling Space Charging in Multi-carrier Solid Electrolytes," at the ModVal Conference in Aarau, Switzerland.
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Recent Publications