{"id":"W2084090498","doi":"10.1063/1.4823513","title":"Diffusivity and hydration of hydrazine in liquid and supercritical water through molecular dynamics simulations and split-flow pulse injection experiments","year":2013,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Subcritical and Supercritical Water Processes","field":"Engineering","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"Trent University","funders":"","keywords":"Supercritical fluid; Molecular dynamics; Chemistry; Diffusion; Thermal diffusivity; Water model; Aqueous solution; Thermodynamics; Molecule; Self-diffusion; Hydrazine (antidepressant); Chemical physics; Physical chemistry; Computational chemistry; Organic chemistry; Chromatography","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":[0.00006806859,0.0001032865,0.0001963091,0.00001850492,0.00002117016,0.00002193114,0.00004920702,0.00005937594,0.00001010499],"category_scores_gemma":[0.00005733752,0.00006627744,0.00002175086,0.00004878943,0.0001754293,0.0004030968,0.00004375364,0.0001918956,5.387254e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000267597,"about_ca_system_score_gemma":0.000004624799,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001511258,"about_ca_topic_score_gemma":0.000001057956,"domain_scores_codex":[0.9993618,0.00002879344,0.0002674169,0.00006716043,0.0001290707,0.0001458335],"domain_scores_gemma":[0.999642,0.000136601,0.000003991737,0.00006270019,0.00008724191,0.00006747038],"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":[0.00003054461,0.00007186243,0.0001531555,0.0001006675,0.00001364719,0.000001211378,0.001025299,0.0005623483,0.9970503,0.00054569,0.000002195164,0.0004430691],"study_design_scores_gemma":[0.000354614,0.00009574328,0.0001917034,0.00004641615,0.0000325236,0.00003019744,0.0001157522,0.1005146,0.8627926,0.03573253,0.00000145176,0.00009190624],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9924193,0.0002171562,0.006758873,0.0004427032,0.0000248188,0.00006835651,0.000003318575,0.000006636454,0.00005882665],"genre_scores_gemma":[0.9994056,0.00004937727,0.000416827,0.0000637905,0.00004635889,0.000001918136,0.00000381794,0.00001169579,5.808454e-7],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1342578,"threshold_uncertainty_score":0.2702716,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007293079793680086,"score_gpt":0.2213748651289107,"score_spread":0.2140817853352306,"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."}}