TY  - JOUR
A1  - Cai, Xinrui
A1  - Worley, Joshua
A1  - Phan, Anh
A1  - Salvalaglio, Matteo
A1  - Koh, Carolyn
A1  - Striolo, Alberto
UR  - http://dx.doi.org/10.1016/j.jcis.2023.11.136
KW  - Hydrates; Promoters; CO2; 
SDS; THF
AV  - public
PB  - Elsevier BV
SP  - 1
ID  - discovery10185519
JF  - Journal of Colloid and Interface Science
SN  - 0021-9797
VL  - 658
N2  - 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.
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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.
EP  - 11
Y1  - 2024/03/15/
N1  - This version is the author accepted manuscript. For information on re-use, please refer to the publisher?s terms and conditions.
TI  - Understanding the effect of moderate concentration SDS on CO? hydrates growth in the presence of THF
ER  -