{"id":"W2466584735","doi":"10.1039/c6ra12115b","title":"Molecular dynamic simulations of pressure-driven water transport through polyamide nanofiltration membranes at different membrane densities","year":2016,"lang":"en","type":"article","venue":"RSC Advances","topic":"Membrane Separation Technologies","field":"Environmental Science","cited_by":37,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Natural Sciences and Engineering Research Council of Canada; McMaster University","keywords":"Nanofiltration; Membrane; Polyamide; Molecular dynamics; Amorphous solid; Porosity; Chemical engineering; Volume (thermodynamics); Materials science; Chemistry; Polymer chemistry; Organic chemistry; Computational chemistry; Composite material; Thermodynamics","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":[0.0002255468,0.0007056133,0.0007817597,0.0005395915,0.001163958,0.0006868356,0.0009046415,0.001285144,0.003049584],"category_scores_gemma":[0.0008201525,0.0005080596,0.0008711066,0.0007788104,0.0007049053,0.0009005564,0.0004275652,0.001272216,0.000182086],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001780111,"about_ca_system_score_gemma":0.001823423,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.03102428,"about_ca_topic_score_gemma":0.01628223,"domain_scores_codex":[0.9998374,0.00002016185,0.000007992113,0.00002532613,0.00003943505,0.00006970463],"domain_scores_gemma":[0.9996586,0.000151987,0.00003511093,0.00002255707,0.00007943428,0.0000522001],"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":[0.0002389353,0.0002000359,0.002131787,0.0001019332,0.00007243707,0.0002606376,0.0001361941,0.9748209,0.01490856,0.004793616,0.0003565268,0.001978475],"study_design_scores_gemma":[0.0000507334,0.00005861171,0.0006514817,0.00000741085,0.00001343535,0.000009593417,0.00004029987,0.9957704,0.002833704,0.0003286629,0.0002246159,0.00001115445],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9889931,0.0001717979,0.003968282,0.0002436067,0.00003938597,0.00004649351,0.0005951515,0.00008522384,0.00585693],"genre_scores_gemma":[0.9954667,0.0001747025,0.002310446,0.00005468926,0.00001011801,0.0001151574,0.0005794523,0.00003511775,0.001253574],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03102428,"threshold_uncertainty_score":0.06168741,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00857874798120144,"score_gpt":0.2403221427290754,"score_spread":0.2317433947478739,"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."}}