{"id":"W3080504524","doi":"10.1016/j.fuel.2020.118990","title":"Effects of molecular polarity on the adsorption and desorption behavior of asphaltene model compounds on silica surfaces","year":2020,"lang":"en","type":"article","venue":"Fuel","topic":"Petroleum Processing and Analysis","field":"Chemistry","cited_by":44,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Calgary","funders":"National Natural Science Foundation of China; National Science and Technology Planning Project; Canada First Research Excellence Fund; Chinese Academy of Sciences; University of Calgary","keywords":"Asphaltene; Adsorption; Desorption; Stacking; Wetting; Chemical engineering; Solvophobic; Chemistry; Steric effects; Hydrogen bond; Molecular dynamics; Chemical physics; Organic chemistry; Molecule; Computational chemistry","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":[0.0001179072,0.0002604488,0.0001603717,0.0001858433,0.0002282937,0.0002635861,0.0001352062,0.0002012375,0.002329997],"category_scores_gemma":[0.0005028944,0.0001528163,0.0001413449,0.0001388641,0.000239256,0.0002880284,0.0001505698,0.0002767393,0.0002591647],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001935294,"about_ca_system_score_gemma":0.0001818155,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001424071,"about_ca_topic_score_gemma":0.002307443,"domain_scores_codex":[0.9998939,0.00001468553,0.000005141098,0.00001384866,0.00002922962,0.0000432676],"domain_scores_gemma":[0.9997128,0.0001797803,0.0000252215,0.00001238116,0.00004613659,0.00002370873],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00130972,0.000057502,0.001120052,0.00009870931,0.00002005698,0.00009609507,0.00006278703,0.0005199069,0.9936651,0.00008831301,0.00008394825,0.002877878],"study_design_scores_gemma":[0.00001769816,0.0003681777,0.005575993,0.000003832329,0.00001588811,0.00003643183,0.00006529965,0.001467095,0.9920726,0.00003502533,0.0003326078,0.000009312564],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9989204,0.000166953,0.0001204189,0.00001915492,0.000007832285,0.000003773162,0.00005741187,0.000004707658,0.0006994021],"genre_scores_gemma":[0.9991031,0.0002570784,0.0001116466,0.00001807799,0.000006795577,0.000003194154,0.00007163313,0.000004682422,0.0004239248],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002329997,"threshold_uncertainty_score":0.007794619,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01577855446711954,"score_gpt":0.2342925907259665,"score_spread":0.2185140362588469,"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."}}