{"id":"W2086520158","doi":"10.1016/j.ces.2014.09.043","title":"Molecular mechanics and equation of state modeling of compressible polyolefin solutions: Impact of pressure and cut-off radius of intermolecular potentials","year":2014,"lang":"en","type":"article","venue":"Chemical Engineering Science","topic":"Phase Equilibria and Thermodynamics","field":"Engineering","cited_by":2,"is_retracted":false,"has_abstract":false,"ca_institutions":"McGill University","funders":"","keywords":"Polyolefin; Equation of state; Compressibility; Intermolecular force; RADIUS; Thermodynamics; Molecular mechanics; Mechanics; Classical mechanics; Materials science; Physics; Molecular dynamics; Composite material; Quantum mechanics; Molecule","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002328578,0.0001042383,0.0002446959,0.0001213514,0.00000870008,0.000006014207,0.0001613201,0.00004354349,8.377893e-7],"category_scores_gemma":[0.0001201712,0.000104221,0.00004679498,0.0002113448,0.00009072801,0.0001229196,0.0000803298,0.00006679645,2.495951e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001553536,"about_ca_system_score_gemma":0.000021837,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001369338,"about_ca_topic_score_gemma":5.155466e-8,"domain_scores_codex":[0.9992321,0.000006989542,0.00028486,0.0001289519,0.0001805753,0.0001664906],"domain_scores_gemma":[0.999584,0.00003368624,0.00006833318,0.0001741384,0.00007433702,0.00006553863],"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":[0.000003135901,0.000006296894,0.000002959195,0.0001140239,0.00001792674,8.836336e-8,0.00004662151,0.4740027,0.5247353,0.0008489669,7.184824e-8,0.0002219497],"study_design_scores_gemma":[0.0001136685,0.00001956419,0.00001720013,0.00008712795,0.00001431194,0.000001588782,0.000001579852,0.5550935,0.444061,0.000543343,9.28229e-8,0.00004697138],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5802011,0.0008738675,0.418828,8.050526e-7,0.00002022642,0.00004113307,0.00001086067,0.00001363033,0.00001033898],"genre_scores_gemma":[0.9971099,0.00005526478,0.002814768,4.983546e-7,0.000003184996,0.000001462382,0.000002099044,0.00001260926,1.907523e-7],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4169088,"threshold_uncertainty_score":0.4250008,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008921605255571355,"score_gpt":0.2198264614763113,"score_spread":0.21090485622074,"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."}}