eprintid: 10185519 rev_number: 9 eprint_status: archive userid: 699 dir: disk0/10/18/55/19 datestamp: 2024-01-16 12:57:22 lastmod: 2024-12-13 10:39:18 status_changed: 2024-01-16 12:57:22 type: article metadata_visibility: show sword_depositor: 699 creators_name: Cai, Xinrui creators_name: Worley, Joshua creators_name: Phan, Anh creators_name: Salvalaglio, Matteo creators_name: Koh, Carolyn creators_name: Striolo, Alberto title: Understanding the effect of moderate concentration SDS on CO₂ hydrates growth in the presence of THF ispublished: pub divisions: UCL divisions: B04 divisions: C05 divisions: F43 keywords: Hydrates; Promoters; CO2; SDS; THF note: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions. abstract: Hypothesis: Additives like Tetrahydrofuran (THF) and Sodium Dodecylsulfate (SDS) improve Carbon Dioxide (CO2) hydrates thermal stability and growth rate when used separately. It has been hypothesised that combining them could improve the kinetics of growth and the thermodynamic stability of CO2 hydrates. // Simulations and Experiments: We exploit atomistic molecular dynamics simulations to investigate the combined impact of THF and SDS under different temperatures and concentrations. The simulation insights are verified experimentally using pendant drop tensiometry conducted at ambient pressures and high-pressure differential scanning calorimetry. // Findings: Our simulations revealed that the combination of both additives is synergistic at low temperatures but antagonistic at temperatures above 274.1 K due to the aggregation of SDS molecules induced by THF molecules. These aggregates effectively remove THF and CO2 from the hydrate-liquid interface, thereby reducing the driving force for hydrates growth. Experiments revealed that the critical micelle concentration of SDS in water decreases by 20% upon the addition of THF. Further experiments in the presence of THF showed that only small amounts of SDS are sufficient to increase the CO2 storage efficiency by over 40% compared to results obtained without promoters. Overall, our results provide microscopic insights into the mechanisms of THF and SDS promoters on CO2 hydrates, useful for determining the optimal conditions for hydrate growth. date: 2024-03-15 date_type: published publisher: Elsevier BV official_url: http://dx.doi.org/10.1016/j.jcis.2023.11.136 oa_status: green full_text_type: other language: eng primo: open primo_central: open_green verified: verified_manual elements_id: 2114491 doi: 10.1016/j.jcis.2023.11.136 medium: Print-Electronic pii: S0021-9797(23)02259-2 lyricists_name: Striolo, Alberto lyricists_name: Salvalaglio, Matteo lyricists_id: ASTRI68 lyricists_id: MSALV72 actors_name: Salvalaglio, Matteo actors_id: MSALV72 actors_role: owner full_text_status: public publication: Journal of Colloid and Interface Science volume: 658 pagerange: 1-11 event_location: United States issn: 0021-9797 citation: Cai, Xinrui; Worley, Joshua; Phan, Anh; Salvalaglio, Matteo; Koh, Carolyn; Striolo, Alberto; (2024) Understanding the effect of moderate concentration SDS on CO₂ hydrates growth in the presence of THF. Journal of Colloid and Interface Science , 658 pp. 1-11. 10.1016/j.jcis.2023.11.136 <https://doi.org/10.1016/j.jcis.2023.11.136>. Green open access document_url: https://discovery.ucl.ac.uk/id/eprint/10185519/1/JCIS_XinruiCai_manuscript.pdf