{"id":"W4412005595","doi":"10.1016/j.jconhyd.2025.104631","title":"Diffusive transport properties of seawater in calcite nanopores: A molecular dynamics study","year":2025,"lang":"en","type":"article","venue":"Journal of Contaminant Hydrology","topic":"Groundwater flow and contamination studies","field":"Environmental Science","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Toronto","funders":"Universidad de Cartagena; Queen Elizabeth Diamond Jubilee Trust; Toronto Metropolitan University","keywords":"Calcite; Seawater; Thermal diffusivity; Diffusion; Molecular dynamics; Chemical physics; Chemistry; Ionic bonding; Electrolyte; Mineralogy; Thermodynamics; Ion; Geology; Physical chemistry; Computational 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001200175,0.0001679134,0.0001923052,0.000214023,0.0003568759,0.0002976149,0.0004013008,0.0002661727,0.0007652478],"category_scores_gemma":[0.0002836115,0.000120448,0.0002489817,0.0001990493,0.0004321006,0.0005545632,0.000219413,0.0003742198,0.00006438766],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005360466,"about_ca_system_score_gemma":0.0003941544,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.008439252,"about_ca_topic_score_gemma":0.004347434,"domain_scores_codex":[0.9999605,0.000002737422,0.000002292058,0.00001192693,0.00001060509,0.00001186738],"domain_scores_gemma":[0.9998995,0.00004093474,0.00001611438,0.000007337089,0.00002020148,0.00001594722],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0004672874,0.000373765,0.01947462,0.0001738106,0.00009512887,0.0002954236,0.0003814049,0.06545438,0.8995137,0.006630994,0.0004077561,0.006731846],"study_design_scores_gemma":[0.0001131956,0.0004125279,0.03941273,0.00001556417,0.00006155347,0.0001475012,0.0005711238,0.7617663,0.1944339,0.001338291,0.001652293,0.00007513018],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9989918,0.0000570592,0.0005909728,0.00002811107,0.000002780391,0.000003685637,0.00004759098,0.000007906432,0.0002700994],"genre_scores_gemma":[0.9992987,0.00007736708,0.0004086459,0.000006241816,0.000001763597,0.000003817686,0.00005968871,0.00000236179,0.0001413951],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008439252,"threshold_uncertainty_score":0.01678026,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00532599633741266,"score_gpt":0.2193733361159468,"score_spread":0.2140473397785342,"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."}}