{"id":"W1898512025","doi":"10.1002/cjce.22321","title":"Asphaltene solubility in common solvents: A molecular dynamics simulation study","year":2015,"lang":"en","type":"article","venue":"The Canadian Journal of Chemical Engineering","topic":"Petroleum Processing and Analysis","field":"Chemistry","cited_by":37,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Asphaltene; Solubility; Chemistry; Hildebrand solubility parameter; Molecular dynamics; Solvent; Heteroatom; Toluene; Dissolution; Benzene; Heptane; Isopropyl; Organic chemistry; Computational chemistry; Ring (chemistry)","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003720713,0.0006183143,0.0009327057,0.000572608,0.0009294,0.0006025416,0.0006763796,0.000886442,0.001707496],"category_scores_gemma":[0.0009847141,0.0003434499,0.000862268,0.0008477503,0.0005636269,0.0009082283,0.0003903195,0.0008362166,0.0001414393],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001007483,"about_ca_system_score_gemma":0.001240273,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02286238,"about_ca_topic_score_gemma":0.01424776,"domain_scores_codex":[0.9998393,0.00002633737,0.000007907556,0.00002464967,0.00004818565,0.0000536151],"domain_scores_gemma":[0.9994833,0.0002556089,0.00005196493,0.00003323897,0.0001307491,0.00004507542],"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":[0.000217705,0.0002821035,0.006692267,0.0001311464,0.00008537914,0.0002788363,0.0001573688,0.9745483,0.009321606,0.004602623,0.0003719181,0.003310742],"study_design_scores_gemma":[0.00004246942,0.0001345551,0.0009911155,0.000009289714,0.00002289046,0.00001877522,0.00005434325,0.9944777,0.003414102,0.000321145,0.0005020979,0.00001147606],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9915146,0.00024459,0.003653519,0.0001273281,0.00001661937,0.00004743945,0.0004358376,0.00004653915,0.00391345],"genre_scores_gemma":[0.9934404,0.000386842,0.004556244,0.00003567041,0.00000655348,0.00008574892,0.000560214,0.00002298918,0.0009053916],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02286238,"threshold_uncertainty_score":0.04545861,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01345259720213395,"score_gpt":0.239523525949434,"score_spread":0.2260709287473001,"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."}}