{"id":"W2751149143","doi":"10.1021/acs.jced.7b00496","title":"Optimization of the Reduced Temperature Associated with Peng–Robinson Equation of State and Soave–Redlich–Kwong Equation of State To Improve Vapor Pressure Prediction for Heavy Hydrocarbon Compounds","year":2017,"lang":"en","type":"article","venue":"Journal of Chemical & Engineering Data","topic":"Phase Equilibria and Thermodynamics","field":"Engineering","cited_by":28,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Regina","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Acentric factor; Equation of state; Thermodynamics; Chemistry; Vapor pressure; Hydrocarbon; Hydrocarbon mixtures; Absolute deviation; Relative standard deviation; Reduced properties; Organic chemistry; Physics; Chromatography; Mathematics; Statistics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003611955,0.0001457113,0.000326591,0.0000751202,0.00002944407,0.00003556518,0.0003827883,0.00009191813,7.847801e-7],"category_scores_gemma":[0.0004265167,0.0001165034,0.00004602479,0.0000967703,0.00003229699,0.0004895881,0.00008231845,0.000195266,1.717307e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005765988,"about_ca_system_score_gemma":0.00004560705,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006384537,"about_ca_topic_score_gemma":0.000001071056,"domain_scores_codex":[0.9989282,0.00001427047,0.0005205201,0.0001284671,0.0002689999,0.0001394822],"domain_scores_gemma":[0.9986583,0.00009389676,0.0005279901,0.0004374692,0.0002183469,0.00006399022],"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":[0.0001054456,0.0000233532,0.00004644841,0.0001282766,0.0001371615,1.823771e-7,0.0001178278,0.4352948,0.5640189,0.00000668309,0.00002127691,0.00009968638],"study_design_scores_gemma":[0.0007319064,0.0001058703,0.0004177395,0.0003183486,0.0001091561,0.000002896905,0.000003858619,0.6395362,0.3586628,0.00003485227,0.000006798275,0.00006959166],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9475997,0.00009018203,0.05105041,0.00004272787,0.0002180863,0.0002898271,0.0006847106,0.00001578613,0.000008588303],"genre_scores_gemma":[0.9971141,0.00002483699,0.002607211,0.000001713666,0.00005909504,0.000003946378,0.0001504066,0.00003286857,0.000005855988],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2053561,"threshold_uncertainty_score":0.4750871,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01466963800739042,"score_gpt":0.2260525368440133,"score_spread":0.2113828988366229,"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."}}