{"id":"W3000020919","doi":"10.1021/acs.jpcc.9b08969","title":"Aquivion Ionomer in Mixed Alcohol–Water Solution: Insights from Multiscale Molecular Modeling","year":2020,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Fuel Cells and Related Materials","field":"Engineering","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Nafion; Ionomer; Hydronium; Side chain; Electrolyte; Membrane; Glass transition; Chemistry; Chemical engineering; Polymer; Solvent; Materials science; Polymer chemistry; Physical chemistry; Ion; Organic chemistry; Electrochemistry; Copolymer","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":[0.000223859,0.0004253352,0.0004902596,0.0004996758,0.0005109303,0.0005828086,0.000640831,0.0008576873,0.00101267],"category_scores_gemma":[0.0004860022,0.0003202247,0.0005623316,0.0003266718,0.0005740202,0.0007367216,0.0004410845,0.0003999635,0.00008577698],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00115941,"about_ca_system_score_gemma":0.0009362074,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01747958,"about_ca_topic_score_gemma":0.008804053,"domain_scores_codex":[0.9999397,0.00001229697,0.000003443698,0.000009275597,0.00001556254,0.00001961411],"domain_scores_gemma":[0.999855,0.00006250347,0.00002858876,0.00001158951,0.00001923548,0.00002309462],"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":[0.00004969684,0.00006121747,0.001663063,0.00003524211,0.00003330984,0.0001083498,0.00006107157,0.9806961,0.009930949,0.005892579,0.0001510726,0.001317269],"study_design_scores_gemma":[0.000006814565,0.000009946785,0.0002508601,0.00000210734,0.000004027444,0.000004232212,0.00000986424,0.9986466,0.0003821923,0.0005756736,0.0001040436,0.000003599942],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.961529,0.0003790667,0.02990564,0.0006474743,0.00002871694,0.00005633297,0.0003715439,0.0001595869,0.006922595],"genre_scores_gemma":[0.9904642,0.000339156,0.008012799,0.00006803899,0.00001287034,0.00007294786,0.0001797711,0.00004141014,0.0008088296],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01747958,"threshold_uncertainty_score":0.03475565,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01144321677525691,"score_gpt":0.1949519070813265,"score_spread":0.1835086903060696,"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."}}