{"id":"W2894808846","doi":"10.1021/acs.jpcc.8b09615","title":"Salt-Induced Phase Separation of Water and Cyclohexane within a Kaolinite Nanopore: A Molecular Dynamics Study","year":2018,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Soil and Unsaturated Flow","field":"Engineering","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Canada First Research Excellence Fund","keywords":"Cyclohexane; Nanopore; Kaolinite; Wetting; Phase (matter); Aqueous solution; Chemistry; Adsorption; Molecular dynamics; Chemical engineering; Counterion; Materials science; Mineralogy; Ion; Nanotechnology; Organic chemistry; Composite material; Computational chemistry","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001213455,0.0002281046,0.0003778803,0.0002277977,0.0004245144,0.000319252,0.0005588284,0.0003881177,0.001622361],"category_scores_gemma":[0.0002878022,0.0001939698,0.0003826288,0.0001983884,0.0004429999,0.0005803998,0.0002230684,0.0004588396,0.0001008305],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008114463,"about_ca_system_score_gemma":0.000729243,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.008536272,"about_ca_topic_score_gemma":0.005449084,"domain_scores_codex":[0.9999473,0.000005178935,0.000002042109,0.00001138018,0.00001506881,0.00001907104],"domain_scores_gemma":[0.9998922,0.00004191793,0.00001637961,0.000006459899,0.00001948567,0.00002364506],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0007521256,0.0007369127,0.009788466,0.000414543,0.0002332361,0.0008965276,0.0006099411,0.4571312,0.5103981,0.009731201,0.0006870576,0.008620721],"study_design_scores_gemma":[0.0001005535,0.0002384503,0.002691706,0.00001163005,0.00003626526,0.00003605328,0.00008419044,0.9501549,0.04549646,0.0005090113,0.0006153401,0.00002539294],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9973908,0.00005775549,0.001502045,0.00004848208,0.000005787356,0.00001516893,0.00008158907,0.00002599046,0.0008723376],"genre_scores_gemma":[0.9973736,0.0001133014,0.00193949,0.00002170719,0.000003028703,0.00002576475,0.0001389709,0.00001213164,0.0003721693],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008536272,"threshold_uncertainty_score":0.0169732,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007089630236338626,"score_gpt":0.2588209474334501,"score_spread":0.2517313171971115,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}