{"id":"W2392707885","doi":"10.1021/acs.energyfuels.5b00657","title":"Asphaltene Subfractions Responsible for Stabilizing Water-in-Crude Oil Emulsions. Part 2: Molecular Representations and Molecular Dynamics Simulations","year":2015,"lang":"en","type":"article","venue":"Energy & Fuels","topic":"Petroleum Processing and Analysis","field":"Chemistry","cited_by":159,"is_retracted":false,"has_abstract":true,"ca_institutions":"Natural Resources Canada; University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Asphaltene; Chemistry; Fourier transform infrared spectroscopy; Molecule; Molecular dynamics; Solvent; Infrared spectroscopy; Elemental analysis; Extraction (chemistry); Organic chemistry; Analytical Chemistry (journal); Chemical engineering; 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":[0.0001335276,0.0004316852,0.0004028002,0.0003001785,0.0003376344,0.0003973612,0.0005092681,0.000483158,0.002731167],"category_scores_gemma":[0.0003286181,0.0002256609,0.0004608005,0.0002437931,0.0002450319,0.0004811798,0.000280942,0.0005500939,0.0002949335],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00065106,"about_ca_system_score_gemma":0.0004943556,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003142377,"about_ca_topic_score_gemma":0.002436968,"domain_scores_codex":[0.9999627,0.000005460008,0.000002035852,0.000007264867,0.00001157894,0.00001098623],"domain_scores_gemma":[0.999934,0.00002076089,0.00001320171,0.000006564706,0.00001120641,0.000014307],"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":[0.0002098084,0.0002133257,0.00194568,0.0002764457,0.00008646926,0.0003196973,0.0000999299,0.8883951,0.0897309,0.01170384,0.0007369345,0.006281861],"study_design_scores_gemma":[0.00004609874,0.00009841293,0.0006316919,0.000008056544,0.00002522695,0.00001766516,0.00003053591,0.9875969,0.009547492,0.0008904831,0.0010974,0.000009940472],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9735561,0.0005706527,0.01721859,0.0001947297,0.00005618347,0.0001140325,0.0008688558,0.0001458601,0.00727499],"genre_scores_gemma":[0.9829795,0.0005845948,0.01344398,0.00004947961,0.00001482946,0.0001945483,0.0007966348,0.00005716403,0.001879268],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003142377,"threshold_uncertainty_score":0.009136677,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.019834437067917,"score_gpt":0.2832573733907596,"score_spread":0.2634229363228426,"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."}}