{"id":"W4401838892","doi":"10.1016/j.colcom.2024.100800","title":"Molecular dynamics characterization of the interfacial structure and forces of the methane-ethane sII gas hydrate interface","year":2024,"lang":"en","type":"article","venue":"Colloids and Interface Science Communications","topic":"Methane Hydrates and Related Phenomena","field":"Environmental Science","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Methane; Molecular dynamics; Characterization (materials science); Hydrate; Methane gas; Clathrate hydrate; Materials science; Chemical physics; Interface (matter); Dynamics (music); Chemical engineering; Chemistry; Nanotechnology; Molecule; Computational chemistry; Physics; Organic chemistry; Engineering","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":["sts"],"consensus_categories":[],"category_scores_codex":[0.0004342216,0.0001332789,0.0001560605,0.00005542376,0.0002611789,0.00008600554,0.001413077,0.00006315258,0.00007768899],"category_scores_gemma":[0.00007269823,0.00007662967,0.00005026368,0.001004522,0.002934225,0.0003009099,0.002126605,0.0002829347,0.000002131766],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009468562,"about_ca_system_score_gemma":0.00006688097,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001025589,"about_ca_topic_score_gemma":0.000116822,"domain_scores_codex":[0.9988751,0.0001405537,0.0003025667,0.0002589578,0.0002538146,0.0001689589],"domain_scores_gemma":[0.9988106,0.0000670317,0.0001615789,0.0008670833,0.00003789554,0.00005576327],"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":[0.000005663022,0.00001565616,0.001024308,0.0000218991,0.00001367008,3.618644e-8,0.002633399,0.0004642236,0.9900838,0.002673897,0.000004569622,0.003058917],"study_design_scores_gemma":[0.0001603329,0.0001107629,0.006661912,0.0003115718,0.00007037508,0.0000157544,0.0008038624,0.1324772,0.854614,0.002951651,0.001633227,0.0001893057],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9937181,0.00107153,0.0008358232,0.002006346,0.0002776771,0.0003188537,0.00005463149,0.00001226564,0.001704707],"genre_scores_gemma":[0.9988097,0.0003309484,0.0002328101,0.00003361344,0.000003698222,0.000006582274,0.000002501228,0.000009389361,0.0005707638],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1354698,"threshold_uncertainty_score":0.9997792,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007623333592794385,"score_gpt":0.2558903207328266,"score_spread":0.2482669871400323,"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."}}