{"paper":{"title":"3DRISM Bridge Functional for the Aqueous Solutions of Carbon Nanomaterials","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.soft"],"primary_cat":"cond-mat.stat-mech","authors_text":"Volodymyr P. Sergiievskyi","submitted_at":"2011-12-05T17:01:45Z","abstract_excerpt":"In the paper a bridge functional for the closure relation of the three-dimensional reference interaction model (3DRISM) equations is proposed. The effectiveness of the bridge for the aqueous solutions of the carbon nanomaterials is tested. In the paper two classes of systems are investigated: (i) infinitely diluted aqueous solutions of the Lennard-Jones (LJ) spheres and (ii) infinitely diluted aqueous solution of the carbon nanotubes(CNT). The bridge functional is fitted to the molecular simulation data. It is shown that for all the investigated systems the bridge functional can be approximate"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1112.0998","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"}