{"id":"W4407802085","doi":"10.1016/j.jgsce.2025.205581","title":"Comparison of conventional and simplified heterogeneous modeling frameworks for simulation of sulfur poisoning in methane reforming catalyst","year":2025,"lang":"en","type":"article","venue":"Gas Science and Engineering","topic":"Catalysts for Methane Reforming","field":"Chemical Engineering","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Regina","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Foundation for Innovation","keywords":"Methane; Sulfur; Catalysis; Methane reformer; Environmental science; Chemistry; Steam reforming; Materials science; Metallurgy; Hydrogen production; Organic chemistry","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":[0.00062059,0.0001122625,0.0003091746,0.0004143609,0.00004242887,0.000009986427,0.0001187327,0.00009999298,6.563561e-7],"category_scores_gemma":[0.0006059245,0.0001128011,0.00003990679,0.0005337277,0.00006276926,0.0002252239,0.00009011955,0.0001695782,4.526698e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008824827,"about_ca_system_score_gemma":0.00003748704,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00008514099,"about_ca_topic_score_gemma":0.000008863909,"domain_scores_codex":[0.9989026,0.00000294276,0.0004329684,0.0002176212,0.0001970653,0.0002468301],"domain_scores_gemma":[0.999461,0.0001787512,0.0000736517,0.0001222256,0.0001141507,0.00005020006],"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":[0.00001059217,0.000006539707,0.000443069,0.0002158281,0.000007673962,1.727656e-7,0.0002347062,0.6444455,0.3521174,0.0003712727,2.550426e-8,0.002147281],"study_design_scores_gemma":[0.00023014,0.00001147518,0.00005607653,0.0002468727,0.00001268999,0.0000020652,0.0001468958,0.7250131,0.274115,0.00008878369,0.000004734771,0.00007212736],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8455567,0.0004256273,0.1537858,0.00001264533,0.00005740439,0.0001185228,0.000003213987,0.00001997062,0.00002016811],"genre_scores_gemma":[0.9971816,0.000007847582,0.002765109,0.000003280295,0.00001246376,0.00001018059,0.000006124315,0.000009329635,0.000004079717],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1516249,"threshold_uncertainty_score":0.4599896,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02202562253960953,"score_gpt":0.3136612079481286,"score_spread":0.291635585408519,"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."}}