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

Recent News

April, 2017

Saber gave a talk at the ACS Conference in San Francisco, California.
[Abstract]

April, 2017

James gave a talk at the ACS Conference in San Francisco, California.
[Abstract]

May, 2017

Saber gave a talk at the ECS Conference in New Orleans, Louisiana.
[Abstract]

May, 2017

James gave a talk at the ECS Conference in New Orleans, Louisiana.
[Abstract]

October, 2016

Priyam gave a talk, "Models to Couple Mechanics and Electrochemical Transport in Solid Electrolytes," at the 230th ECS Meeting in Honolulu, Hawaii.

October, 2016

Howie gave a talk, "Electrochemical-Thermal Characterization and Modeling of Large Format Prismatic Lithium Ion Batteries," at the 230th ECS Meeting in Honolulu, Hawaii.

August, 2016

Priyam gave a talk, "Coupling of Material, Charge, and Momentum Transport in Liquid and Solid Electrolytes," at the 67th International Society of Electrochemistry in The Hague, Netherlands.

June, 2016

James gave a talk, "Towards Symmetric All-Organic Redox Flow Batteries," at the IFBF 2016 Conference in Karlsruhe, Germany.

June, 2016

Prof. Monroe gave a talk, "Coupling of Mechanical and Transport Phenomena in Ionomers," at the 229th ECS Meeting in San Diego, California.

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Recent Publications

  • G. Vardar, J.G. Smith, T. Thompson, K. Inagaki, J. Naruse, H. Hiramatsu, A.E.S. Sleightholme, J. Sakamoto, D.J. Siegel, C.W. Monroe, "Mg/O2 Battery Based on the Magnesium–Aluminum Chloride Complex (MACC) Electrolyte," Chem. Mater 28 (2016), 7629-7637.

  • J. Liu, S.K. Rahimian, C.W. Monroe, "Capacity-limiting mechanisms in Li/O2 batteries," Phys. Chem. Chem. Phys. 18 (2016), 22840-22851.

  • A.F. Chadwick, G. Vardar, S. DeWitt, A.E.S. Sleightholme, C.W. Monroe, D.J. Siegel, K. Thornton, "Computational Model of Magnesium Deposition and Dissolution for Property Determination via Cyclic Voltammetry," J. Electrochem. Soc. 163 (2016), A1813-A1821.

  • A.M. Bizeray, D.A. Howey, C.W. Monroe, "Resolving a Discrepancy in Diffusion Potentials, with a Case Study for Li-Ion Batteries," J. Electrochem. Soc. 163 (2016), E223-E229.

  • J.D. Saraidaridis, B.M. Bartlett, C.W. Monroe, "Spectroelectrochemistry of Vanadium Acetylacetonate and Chromium Acetylacetonate for Symmetric Nonaqueous Flow Batteries," J. Electrochem. Soc. 163 (2016), A1239-A1246.

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