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