{"id":"W2312507689","doi":"10.1021/ef400286m","title":"Thermodynamic Modeling and Process Simulation through PIONA Characterization","year":2013,"lang":"en","type":"article","venue":"Energy & Fuels","topic":"Process Optimization and Integration","field":"Engineering","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"Virtual Materials Group (Canada)","funders":"Virtual Materials Group","keywords":"Characterization (materials science); Component (thermodynamics); Raw material; Process engineering; Refinery; Distillation; Constant (computer programming); Biological system; Process (computing); Chemical process; Chemistry; Computer science; Materials science; Thermodynamics; Organic chemistry; Nanotechnology","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":[0.0004255098,0.0005169683,0.000663013,0.0005516604,0.0006235157,0.0009730023,0.0009854607,0.0006947953,0.004756929],"category_scores_gemma":[0.001038784,0.0004773317,0.0007540036,0.0005017426,0.0004730066,0.001024457,0.0005535022,0.0006253994,0.0007178249],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008163732,"about_ca_system_score_gemma":0.001598727,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.008429071,"about_ca_topic_score_gemma":0.0055543,"domain_scores_codex":[0.9998506,0.00003360264,0.000009628035,0.00002701694,0.00005766087,0.00002138447],"domain_scores_gemma":[0.9996539,0.0001866192,0.0000243844,0.00004705217,0.00006864723,0.00001932082],"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":[0.00002153527,0.00003024531,0.0003928042,0.00002058336,0.000008185051,0.00002205444,0.00002185436,0.9896387,0.00146246,0.005251053,0.0001282418,0.0030023],"study_design_scores_gemma":[0.000002951093,0.000003366958,0.00003181025,9.482208e-7,0.00000105063,0.000002408194,0.000002739326,0.9984131,0.0004643275,0.0007228183,0.0003524992,0.000001884146],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.2050716,0.0002149367,0.7503272,0.0003586194,0.00008293799,0.0003037935,0.001508751,0.003109333,0.03902284],"genre_scores_gemma":[0.8744649,0.000268314,0.1143854,0.00006096073,0.00002542448,0.0006440085,0.0009885208,0.0004618669,0.008700626],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.008429071,"threshold_uncertainty_score":0.01676005,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00924886816124623,"score_gpt":0.2177485575464735,"score_spread":0.2084996893852273,"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."}}