{"id":"W4284965987","doi":"10.1016/j.cej.2022.138002","title":"Molecular simulation on CO2 adsorption in partially water-saturated kaolinite nanopores in relation to carbon geological sequestration","year":2022,"lang":"en","type":"article","venue":"Chemical Engineering Journal","topic":"CO2 Sequestration and Geologic Interactions","field":"Environmental Science","cited_by":61,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; China Scholarship Council; Compute Canada","keywords":"Gibbsite; Siloxane; Kaolinite; Nanopore; Adsorption; Chemical engineering; Materials science; Porosity; Phase (matter); Mesoporous material; Carbon fibers; Chemical physics; Nanotechnology; Mineralogy; Chemistry; Composite material; Organic chemistry; Catalysis; Composite number","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":[0.0001881415,0.0003707945,0.0006639868,0.0004916487,0.001001327,0.0006843692,0.001140723,0.001089019,0.005887277],"category_scores_gemma":[0.0006904178,0.0002992167,0.0005603579,0.0006488282,0.0007392897,0.0006878407,0.000425303,0.0009900164,0.0001727971],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001397554,"about_ca_system_score_gemma":0.001209404,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02606462,"about_ca_topic_score_gemma":0.01547005,"domain_scores_codex":[0.9998493,0.0000173875,0.000005517861,0.00002278484,0.00002979882,0.00007524992],"domain_scores_gemma":[0.9995031,0.0002899999,0.00004008574,0.00003744024,0.00007317961,0.00005625996],"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":[0.0005921639,0.0005681023,0.005743811,0.0002455026,0.0001297798,0.0004392765,0.0002132044,0.9455596,0.03011207,0.01257053,0.0008445299,0.002981466],"study_design_scores_gemma":[0.00004927877,0.00007983507,0.00134313,0.000006036348,0.00001380631,0.000009969601,0.0000749492,0.9948419,0.002878091,0.0005186287,0.0001712149,0.00001326086],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9938968,0.00008028228,0.001159586,0.0002108056,0.00002853387,0.00001506907,0.0002141286,0.00004483814,0.004350076],"genre_scores_gemma":[0.9984044,0.00007669931,0.0006916895,0.00005161713,0.000008984626,0.00002049277,0.0001489397,0.00001442622,0.0005827363],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02606462,"threshold_uncertainty_score":0.05182582,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01031018742591095,"score_gpt":0.232834756583015,"score_spread":0.2225245691571041,"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."}}