{"paper":{"title":"Determination of pressure-viscosity relation of 2,2,4-trimethylhexane by all-atom molecular dynamics simulations","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.soft","authors_text":"Marco A. Galvani Cunha, Mark O. Robbins","submitted_at":"2019-02-04T23:11:56Z","abstract_excerpt":"The Newtonian viscosity of 2,2,4-trimethylhexane at 293K is determined at pressures from 0.1MPa to 1000MPa. Non-equilibrium molecular dynamics simulations are performed using AIREBO-M, an all-atom potential for hydrocarbons especially parameterized for high pressures. The steady-state shear stress and viscosity are determined from simple shear simulations at rates between $10^7$ and $5\\cdot 10^9\\ \\textrm{s}^{-1}$. At low pressures, simulation rates are low enough to reach the Newtonian regime. At high pressures, results are extrapolated to the Newtonian limit by fitting rate-dependent viscosit"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1902.01493","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"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"}