{"id":"W2313026689","doi":"10.1021/ef400097h","title":"Probing the Effect of Side-Chain Length on the Aggregation of a Model Asphaltene Using Molecular Dynamics Simulations","year":2013,"lang":"en","type":"article","venue":"Energy & Fuels","topic":"Petroleum Processing and Analysis","field":"Chemistry","cited_by":134,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"University of Alberta; Western Canada Research Grid","keywords":"Asphaltene; Side chain; Stacking; Molecular dynamics; Chemistry; Chemical physics; Kinetics; Molecule; Computational chemistry; Organic chemistry; Polymer","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":[0.0002453093,0.0005482871,0.0006359247,0.0003234843,0.0005758629,0.0004133681,0.0004694209,0.0004948381,0.001023194],"category_scores_gemma":[0.0008888782,0.0002656638,0.0003913765,0.0003753844,0.0004499301,0.0005900436,0.0002979852,0.000717594,0.00007643011],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006466506,"about_ca_system_score_gemma":0.0008754039,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006897992,"about_ca_topic_score_gemma":0.005348035,"domain_scores_codex":[0.999903,0.00001692335,0.000005752161,0.00001725861,0.00002427964,0.0000327485],"domain_scores_gemma":[0.999655,0.0001826392,0.00003746357,0.00002100841,0.00005320957,0.00005062179],"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":[0.0006394354,0.0005413735,0.009662657,0.0002110344,0.0001577124,0.0004336381,0.0002728323,0.8302858,0.1469485,0.004108445,0.0003372187,0.006401292],"study_design_scores_gemma":[0.00006845781,0.0002663084,0.002215707,0.00001102132,0.00003617912,0.00001859768,0.00005045068,0.9714613,0.02504965,0.0004029175,0.0003970691,0.00002250281],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9973745,0.00008867169,0.001578805,0.00003696615,0.00000821074,0.00001805095,0.00009846516,0.00002124075,0.0007750684],"genre_scores_gemma":[0.9971956,0.0001696596,0.002197098,0.00001895605,0.000002742953,0.00004127082,0.0001443973,0.00001491893,0.0002154096],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006897992,"threshold_uncertainty_score":0.01371568,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01041612219176938,"score_gpt":0.2339071694272665,"score_spread":0.2234910472354971,"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."}}