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physics.chem-ph2025
Modified Marrone-Treanor model: parameterization and benchmarking for five-species air
Erik Torres, Thomas Gross, Graham V. Candler +1
We present updated parameters for five-species air (N2, O2, NO, N and O) reactions to be used with the Modified Marrone-Treanor two-temperature model. The vibrational relaxation an…
physics.chem-ph2025
Modified Marrone-Treanor dissociation model: formulation and benchmarking for diatom/atom mixtures
Ross S. Chaudhry, Erik Torres, Thomas E. Schwartzentruber +1
We present a modified Marrone-Treanor model for dissociation with rate parameters derived exclusively from quasiclassical trajectory calculations on ab initio potential energy surf…