{"id":"W4376881436","doi":"10.21741/9781644902516-33","title":"Computational study of CO2 solubility in amino acid-based ionic liquids using COSMO-RS","year":2023,"lang":"en","type":"article","venue":"Materials research proceedings","topic":"Carbon Dioxide Capture Technologies","field":"Engineering","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Yayasan UTP; Universiti Teknologi Petronas","keywords":"Ionic liquid; Solubility; Chemistry; Tetrafluoroborate; Absorption (acoustics); Solvent; Desorption; Carbon dioxide; Dilution; COSMO-RS; Amino acid; Inorganic chemistry; Organic chemistry; Thermodynamics; Materials science; Adsorption; Catalysis","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":[],"consensus_categories":[],"category_scores_codex":[0.002316982,0.000168332,0.0003724891,0.0009575182,0.00004425637,0.0001020709,0.0003948209,0.0001516714,0.0000492825],"category_scores_gemma":[0.0006293092,0.0001743446,0.00003016236,0.001665899,0.0001977047,0.0001487108,0.0002703171,0.0002890169,0.0000219487],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003313858,"about_ca_system_score_gemma":0.00006944115,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001450687,"about_ca_topic_score_gemma":0.00002102218,"domain_scores_codex":[0.9978243,0.00004926123,0.0004940209,0.0003153917,0.0007499332,0.0005671367],"domain_scores_gemma":[0.9992116,0.0001476274,0.00004628217,0.0001769707,0.0003647274,0.00005279724],"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":[0.00007221194,0.0001213065,0.003868364,0.0005907924,0.00002372439,0.0000179617,0.0007233938,0.0394102,0.9542443,0.0002019481,0.0006535942,0.00007226795],"study_design_scores_gemma":[0.0014204,0.0004260967,0.03412862,0.0002111345,0.000008378034,0.000003585675,0.003857031,0.09008643,0.8668025,0.002731309,0.00002818618,0.0002962931],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9979295,0.00002984527,0.00002051248,0.00006209929,0.0001033397,0.0009189352,0.00002300746,0.0008003134,0.0001124468],"genre_scores_gemma":[0.9993911,0.00000627333,0.0003248306,0.000003680975,0.00003510877,0.0001769906,0.00001067878,0.00004366515,0.000007637322],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.08744171,"threshold_uncertainty_score":0.7109566,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.09424834798953569,"score_gpt":0.3592458842234121,"score_spread":0.2649975362338764,"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."}}