{"paper":{"title":"Modified Marrone-Treanor model: parameterization and benchmarking for five-species air","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.flu-dyn"],"primary_cat":"physics.chem-ph","authors_text":"Erik Torres, Graham V. Candler, Thomas E. Schwartzentruber, Thomas Gross","submitted_at":"2025-06-25T15:07:25Z","abstract_excerpt":"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 and chemical reaction rates are derived from quasiclassical trajectory calculations and direct molecular simulations using ab initio potential energy surfaces. The resulting model enables efficient computational fluid dynamics simulations of nonequilibrium air chemistry in hypersonic flows. We show that the model reproduces direct molecular simulation benchmark solutions with high accuracy in zero-dimensional heat bath"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2506.20521","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2506.20521/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}