{"id":"W4411813565","doi":"10.1021/acs.langmuir.5c00646","title":"CO<sub>2</sub> Molecular Behaviors at Kaolinite–Geofluid Interfaces: The Role of Edge Defects in Relation to Geologic Carbon Sequestration","year":2025,"lang":"en","type":"article","venue":"Langmuir","topic":"CO2 Sequestration and Geologic Interactions","field":"Environmental Science","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta; Geomechanica (Canada)","funders":"Natural Sciences and Engineering Research Council of Canada; National Natural Science Foundation of China","keywords":"Kaolinite; Gibbsite; Siloxane; Carbon fibers; Chemical physics; Chemical engineering; Diffusion; Carbon sequestration; Chemistry; Molecular dynamics; Molecule; Materials science; Mineralogy; Carbon dioxide; Organic chemistry; Composite material; Computational chemistry; Polymer","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":[],"consensus_categories":[],"category_scores_codex":[0.0001792513,0.00009618678,0.00009945052,0.00007058537,0.00007140177,0.00001233439,0.0001309919,0.00008783127,0.0001473204],"category_scores_gemma":[0.00005558364,0.00007661313,0.00003699838,0.0003092882,0.00007995079,0.00007138882,0.00007458498,0.0001302667,0.0001109338],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000177792,"about_ca_system_score_gemma":0.00001224413,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005651338,"about_ca_topic_score_gemma":0.00180012,"domain_scores_codex":[0.9991906,0.0001095436,0.0002278118,0.0001986499,0.0001239882,0.0001494431],"domain_scores_gemma":[0.9996623,0.00005441442,0.00006700831,0.0001775324,0.00001327314,0.00002540309],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0000251541,0.00005233265,0.1257898,0.000003298622,0.000003876905,0.000004572305,0.0007177865,0.002731394,0.8683845,0.001082897,0.0001846019,0.001019827],"study_design_scores_gemma":[0.0001270104,0.000079577,0.3578788,0.00001971197,0.00001506748,0.000003498078,0.0002543101,0.0007445263,0.6379969,0.001386,0.001401343,0.0000932573],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9659798,0.0000444399,0.0001078002,0.0005273409,0.00008473389,0.0002892485,0.000003328867,0.0000314104,0.03293193],"genre_scores_gemma":[0.9992857,0.000006907665,0.00003719452,0.0003017222,0.000008178517,0.00004988448,0.00002413467,0.000004179232,0.0002820894],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.232089,"threshold_uncertainty_score":0.3124193,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007504792007745798,"score_gpt":0.2511772933853478,"score_spread":0.243672501377602,"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."}}