{"id":"W4405244459","doi":"10.1021/acsomega.4c07037","title":"Peng–Robinson or Redlich–Kwong? Twu or Soave α-Function? Which Combination of Cubic Equation of State (CEoS) and α-Function Produces More Accurate and Consistent Results for Pure Components","year":2024,"lang":"en","type":"article","venue":"ACS Omega","topic":"Phase Equilibria and Thermodynamics","field":"Engineering","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Lakehead University","funders":"Natural Sciences and Engineering Research Council of Canada; Lakehead University","keywords":"Cubic function; Equation of state; Function (biology); State (computer science); Thermodynamics; Mathematics; Mathematical analysis; Physics; Biology","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":[0.001574883,0.0007320658,0.0007129157,0.0005420535,0.0002476259,0.0007699633,0.001036784,0.0006031394,0.001858519],"category_scores_gemma":[0.003284559,0.0003635336,0.001106016,0.0006272362,0.0004177821,0.00182417,0.0004838765,0.0007716071,0.0009611291],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006158495,"about_ca_system_score_gemma":0.0007021095,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004017679,"about_ca_topic_score_gemma":0.004837738,"domain_scores_codex":[0.9996799,0.00007236343,0.00001956653,0.00008671298,0.0001052281,0.00003620061],"domain_scores_gemma":[0.9992518,0.0002907867,0.00009249749,0.0001634788,0.0001742229,0.00002707693],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001008246,0.0003519889,0.02602646,0.001548647,0.0003806512,0.0005721477,0.0003254292,0.5449545,0.181832,0.0278567,0.008431127,0.2067122],"study_design_scores_gemma":[0.00001845793,0.00009005202,0.002124896,0.00002705706,0.00003274664,0.00007680464,0.00005345204,0.9545467,0.0364932,0.003143626,0.003344046,0.00004901168],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.3670587,0.001923482,0.6136882,0.0009499753,0.0001944053,0.0001541885,0.001151742,0.003537914,0.01134141],"genre_scores_gemma":[0.8237822,0.0009957331,0.1687229,0.0001691262,0.00002524387,0.0001647819,0.0008639779,0.0007184651,0.004557538],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.004017679,"threshold_uncertainty_score":0.008328915,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02990950522681382,"score_gpt":0.262084735474336,"score_spread":0.2321752302475222,"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."}}