{"id":"W2772506722","doi":"10.1039/c7cp06591d","title":"Heat of adsorption, adsorption stress, and optimal storage of methane in slit and cylindrical carbon pores predicted by classical density functional theory","year":2017,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Phase Equilibria and Thermodynamics","field":"Engineering","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Institute for Nanotechnology; University of Alberta","funders":"","keywords":"Adsorption; Methane; Carbon fibers; Density functional theory; Materials science; Activated carbon; Chemical engineering; Thermodynamics; Stress (linguistics); Chemistry; Composite material; Physical chemistry; Computational chemistry; Physics; Organic chemistry; Engineering","routes":{"ca_aff":true,"ca_fund":false,"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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.00007265756,0.0002425307,0.0004647409,0.00001170982,0.00001657549,0.00001706735,0.0001607512,0.0001722957,0.000004975549],"category_scores_gemma":[0.00008226229,0.0002477776,0.00008218209,0.00006587881,0.0005144836,0.0001505388,0.0001324007,0.0003829772,1.606324e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005639283,"about_ca_system_score_gemma":0.00002300598,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001258383,"about_ca_topic_score_gemma":4.050087e-7,"domain_scores_codex":[0.9989142,0.00002323931,0.0002728867,0.0003040598,0.0002564989,0.0002291299],"domain_scores_gemma":[0.9992407,0.0001530361,0.00007233029,0.0003302523,0.00005866487,0.0001450216],"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":[0.0001903498,0.0003297135,0.0008117555,0.0003193054,0.00006413266,0.000001593478,0.00008618492,0.0008120204,0.9967137,0.0003562407,0.00001406501,0.0003009117],"study_design_scores_gemma":[0.0007289093,0.00001870669,0.001711853,0.00005901228,0.00004730224,0.000002354444,0.00001122446,0.2446276,0.74802,0.004602073,0.000001945667,0.0001690333],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9984364,0.00006603195,0.0006647665,0.00002358627,0.00003168519,0.0000847743,0.0002172563,0.00004848223,0.0004270162],"genre_scores_gemma":[0.9994764,0.0000221438,0.00006111704,0.000002575025,0.0002065818,0.000009095409,0.0001843984,0.00002891804,0.000008804162],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2486937,"threshold_uncertainty_score":0.9999974,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00697656508411892,"score_gpt":0.2083425737497341,"score_spread":0.2013660086656151,"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."}}