{"id":"W2948278631","doi":"10.1080/15567036.2019.1624879","title":"Structural model of Longkou oil shale kerogen and the evolution process under steam pyrolysis based on ReaxFF molecular dynamics simulation","year":2019,"lang":"en","type":"article","venue":"Energy Sources Part A Recovery Utilization and Environmental Effects","topic":"Hydrocarbon exploration and reservoir analysis","field":"Engineering","cited_by":36,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"National Natural Science Foundation of China","keywords":"ReaxFF; Kerogen; Pyrolysis; Molecular dynamics; Oil shale; Chemical engineering; Chemistry; Molecule; Materials science; Organic chemistry; Petroleum engineering; Hydrogen bond; Computational chemistry; Geology; Source rock","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":[0.00008960628,0.0001690522,0.0002103337,0.0001003164,0.00007479328,0.00002699316,0.00005821039,0.00009479313,0.00001898802],"category_scores_gemma":[0.000009268339,0.0001320636,0.00007328944,0.0001364286,0.00008830427,0.0001482157,0.00002064629,0.00006313205,0.000001715592],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001158633,"about_ca_system_score_gemma":0.000008660199,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001543214,"about_ca_topic_score_gemma":0.00002087807,"domain_scores_codex":[0.9991481,0.00008668825,0.0001969787,0.000206339,0.0002392888,0.0001225641],"domain_scores_gemma":[0.9996075,0.00008754938,0.00007236406,0.0001719759,0.000006299538,0.00005433477],"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":[0.00008089185,0.00001594671,0.001441051,0.00007071612,0.0000625339,2.276575e-7,0.0001471149,0.9947615,0.001007472,0.0002510427,7.119977e-7,0.002160742],"study_design_scores_gemma":[0.0009232891,0.00004757007,0.0003207507,0.00002995549,0.00007066106,4.714234e-7,0.0002028408,0.9954852,0.002495027,0.0002704621,0.00001173562,0.000141987],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9504674,0.0004523301,0.04847216,0.00002038175,0.00004609256,0.00009136581,0.00001248603,0.00003865385,0.0003991126],"genre_scores_gemma":[0.9992378,0.0001883542,0.00001958753,0.00009026092,0.00001116376,0.00001932848,0.0002132917,0.00002588633,0.0001943536],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04877036,"threshold_uncertainty_score":0.5385398,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005025479536391033,"score_gpt":0.1842641861724418,"score_spread":0.1792387066360507,"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."}}