{"id":"W4402540539","doi":"10.1016/j.cherd.2024.09.018","title":"Enhancing the emulsification and demulsification efficiency of switchable surfactants through molecular dynamics simulation: The roles of surfactant concentration, salinity, and structure","year":2024,"lang":"en","type":"article","venue":"Process Safety and Environmental Protection","topic":"Surfactants and Colloidal Systems","field":"Chemistry","cited_by":10,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Calgary","funders":"SINOPEC Petroleum Exploration and Production Research Institute; University of Calgary","keywords":"Pulmonary surfactant; Molecular dynamics; Salinity; Chemical engineering; Chemistry; Materials science; Computational chemistry; Engineering; Geology","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":[0.0001923105,0.0003016485,0.0002038433,0.000192419,0.0002164943,0.0003064832,0.0003107728,0.0003399244,0.0007594534],"category_scores_gemma":[0.0004657029,0.0001459042,0.0002015189,0.0001776962,0.0001663178,0.0005530395,0.0002290885,0.0004123985,0.00007967171],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004251575,"about_ca_system_score_gemma":0.0006186606,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00415625,"about_ca_topic_score_gemma":0.003675482,"domain_scores_codex":[0.9999663,0.000006259379,0.000002047809,0.000006824351,0.000009739996,0.000008861409],"domain_scores_gemma":[0.9998869,0.00005575353,0.00001391668,0.000006846911,0.0000242673,0.00001220579],"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":[0.0008847623,0.0007896433,0.006506893,0.0003849517,0.0001093551,0.0002791477,0.0004078867,0.4882417,0.4494076,0.01613848,0.0007713435,0.03607834],"study_design_scores_gemma":[0.00004146472,0.00008463999,0.000463385,0.000006337038,0.00001522395,0.000008771541,0.00002338384,0.9398514,0.05847791,0.0004461918,0.0005704584,0.00001082637],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9922981,0.0002032059,0.005688004,0.00009938946,0.0000148455,0.00001386383,0.000043117,0.0000415653,0.001597986],"genre_scores_gemma":[0.99421,0.0002596285,0.004855233,0.0000217564,0.000003211905,0.00001939158,0.00005425381,0.00001855397,0.0005580222],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00415625,"threshold_uncertainty_score":0.008264124,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007518766780491574,"score_gpt":0.222747888370872,"score_spread":0.2152291215903805,"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."}}