{"id":"W2065654187","doi":"10.1021/ef800057n","title":"Molecular Dynamics Study of Model Molecules Resembling Asphaltene-Like Structures in Aqueous Organic Solvent Systems","year":2008,"lang":"en","type":"article","venue":"Energy & Fuels","topic":"Petroleum Processing and Analysis","field":"Chemistry","cited_by":182,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Asphaltene; Toluene; Stacking; Chemistry; Molecular dynamics; Molecule; Aqueous solution; Heptane; Aggregate (composite); Solvent; Chemical physics; Computational chemistry; Organic chemistry; Materials science; Nanotechnology","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001029013,0.0002589367,0.000488836,0.0002200319,0.0001140723,0.00003231235,0.0003931912,0.0001510598,0.00001978964],"category_scores_gemma":[0.00003769012,0.0002512918,0.0001160572,0.0003939417,0.00004983694,0.00006872073,0.0001032235,0.0002102963,8.340937e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001844178,"about_ca_system_score_gemma":0.0001751772,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001443843,"about_ca_topic_score_gemma":0.0005394999,"domain_scores_codex":[0.9980966,0.00005364161,0.0005544904,0.0004475943,0.0004982454,0.0003494135],"domain_scores_gemma":[0.9990103,0.00003053228,0.0002385904,0.0005106166,0.0001155442,0.0000943928],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00003149907,0.0003712267,0.0009329971,0.0001182805,0.0001814838,0.0003080986,0.0007399723,0.3647791,0.6308979,0.0002760422,0.000006517029,0.001356898],"study_design_scores_gemma":[0.001667637,0.0001016002,0.00007702868,0.000188756,0.0001857909,0.00007051231,0.00282363,0.6275237,0.3660412,0.0006480272,0.00005068374,0.0006215163],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.987646,0.004408311,0.005474462,0.00001051523,0.00004393418,0.00001168233,0.000009287131,0.00006701823,0.002328771],"genre_scores_gemma":[0.998024,0.0001583354,0.0001790598,0.00002440622,0.00004011158,0.00002096957,0.00003154385,0.0000507069,0.00147086],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2648567,"threshold_uncertainty_score":0.9999939,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0147366795117884,"score_gpt":0.2405289770581444,"score_spread":0.225792297546356,"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."}}