{"id":"W4283779754","doi":"10.1016/j.ces.2022.117832","title":"N2O selectivity in industrial NH3 oxidation on Pt gauze is determined by interaction of local flow and surface chemistry: A simulation study using mechanistic kinetics","year":2022,"lang":"en","type":"article","venue":"Chemical Engineering Science","topic":"Catalytic Processes in Materials Science","field":"Materials Science","cited_by":7,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada; Bundesministerium für Wirtschaft und Energie","keywords":"Selectivity; Chemistry; Catalysis; Kinetics; Platinum; Flow (mathematics); Ammonia; Yield (engineering); Analytical Chemistry (journal); Mechanics; Materials science; Metallurgy; Organic chemistry; Physics","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":[0.0009843508,0.000155436,0.0002148558,0.00008380596,0.0001018841,0.00008517354,0.0003982271,0.00004714181,0.00006929356],"category_scores_gemma":[0.0007275807,0.0001713501,0.00001505108,0.0009420054,0.0001972843,0.0003166921,0.0003197249,0.0001858188,9.892732e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005521319,"about_ca_system_score_gemma":0.0001101371,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004897673,"about_ca_topic_score_gemma":4.194159e-7,"domain_scores_codex":[0.9981273,0.00002541317,0.000333669,0.000545411,0.0006779727,0.0002901802],"domain_scores_gemma":[0.9992818,0.0001900382,0.0001478538,0.0002267543,0.00007329293,0.00008029371],"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":[0.00003420533,0.0001120984,0.00002635883,0.00002031822,5.580443e-7,0.0000010057,0.000184237,0.318848,0.6806395,0.000001705394,0.000001443982,0.0001306429],"study_design_scores_gemma":[0.0002103818,0.00006532594,0.00001622917,0.00001646253,0.000004395346,0.000005559491,0.00007809207,0.4523619,0.5471355,0.00001208214,0.000002231235,0.0000918359],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9749396,0.000005779369,0.02446575,0.00001076482,0.0002887389,0.0002232527,0.00002221491,0.0000384562,0.000005412096],"genre_scores_gemma":[0.9987037,2.407971e-7,0.001232721,0.000009271068,0.0000246751,0.00001176126,0.000003653758,0.00001079842,0.000003242172],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1335139,"threshold_uncertainty_score":0.6987453,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02037525051663103,"score_gpt":0.2686314537162003,"score_spread":0.2482562031995693,"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."}}