A Modified Marrone-Treanor model for five-species air is parameterized from ab initio trajectories and reproduces direct molecular simulation heat-bath benchmarks while predicting more NO and slower N2 dissociation than Park's model.
An improved potential energy surface and multi-temperature quasiclas sical trajectory calculations of N2 + N2 dissociation reactions,
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Modified Marrone-Treanor model: parameterization and benchmarking for five-species air
A Modified Marrone-Treanor model for five-species air is parameterized from ab initio trajectories and reproduces direct molecular simulation heat-bath benchmarks while predicting more NO and slower N2 dissociation than Park's model.