Study on Carbon Storage by CO<sub>2</sub> Hydrate Formation in the Ion-Containing Environment

Hui Wang; Yi Lu; Xiaoxin Zhang; Qi Fan; Qingping Li; Lunxiang Zhang; Jiafei Zhao; Lei Yang; Yongchen Song

doi:doi:10.11648/j.sd.20231103.11

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Study on Carbon Storage by CO₂ Hydrate Formation in the Ion-Containing Environment

Hui Wang, Yi Lu, Xiaoxin Zhang, Qi Fan, Qingping Li, Lunxiang Zhang, Jiafei Zhao, Lei Yang, Yongchen Song

Published in Science Discovery (Volume 11, Issue 3)

Received: 6 April 2023 Accepted: 8 May 2023 Published: 18 May 2023

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Abstract

The current greenhouse effect caused by massive CO₂ accumulation must be addressed urgently. Because of the ocean's enormous capacity, the high density of CO₂ hydrate, and the high stability of CO₂ sequestration in hydrate form, the process of hydrate generation can trap CO₂ molecules into the lattice of water molecules and is considered for the sequestration of CO₂ in hydrate form in the ocean. In this paper, molecular dynamics (MD) simulations are used to investigate the kinetic behavior of CO₂ hydrate growth in ion-containing electrolyte solutions. The mechanism of salt ion effect on hydrate growth during pressure changes is investigated. The simulations show that in the presence of salt ions, the hydrate growth rate fluctuates significantly, despite the fact that a greater driving force can facilitate the hydrate growth process. Higher pressures increase guest molecule occupancy in the hydrate cage, while the saline environment causes competition for water molecules between the hydrate cage and salt ions, increasing the proportion of empty cages. Lower pressures and the presence of salt ions reduce CO₂ molecules' selectivity for the smaller 5¹² cages, creating a barrier to hydrate growth. The findings of the study look at the microscopic mechanism of CO₂ hydrate generation in seawater and serve as a guide for future implementation of hydrate method CO₂ sequestration technology in the marine environment.

Published in	Science Discovery (Volume 11, Issue 3)
DOI	10.11648/j.sd.20231103.11
Page(s)	83-89
Creative Commons	This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.
Copyright	Copyright © The Author(s), 2023. Published by Science Publishing Group

Keywords

Carbon Sequestration, Molecular Dynamics, Ion-containing Environment, CO₂ Hydrate Growth

References

[1]	Sloan E D, Koh C. Clathrate Hydrates of Natural Gases [M]. 2008: 268.
[2]	Sloan Jr E D. Fundamental principles and applications of natural gas hydrates [J]. Nature, 2003, 426 (6964): 353-359.
[3]	Liu Y, Zhang L, Yang L, et al. Behaviors of CO₂ Hydrate Formation in the Presence of Acid-Dissolvable Organic Matters [J]. Environmental Science & Technology, 2021, 55 (9): 6206-6213.
[4]	Lu Y, Sun L, Guan D, et al. Molecular behavior of CO₂ hydrate growth in the presence of dissolvable ionic organics [J]. Chemical Engineering Journal, 2022, 428: 131176.
[5]	Edenhofer O. Climate change 2014: mitigation of climate change [M]. 3. Cambridge University Press, 2015.
[6]	Kong L, Zou S, Mei J, et al. Outstanding Resistance of H₂S-Modified Cu/TiO₂ to SO₂ for Capturing Gaseous HgO from Nonferrous Metal Smelting Flue Gas: Performance and Reaction Mechanism [J]. Environmental Science & Technology, 2018, 52 (17): 10003-10010.
[7]	Jia B, Tsau J-S, Barati R. A review of the current progress of CO₂ injection EOR and carbon storage in shale oil reservoirs [J]. Fuel, 2019, 236: 404-427.
[8]	Lee J-W, Kang S-P. Phase Equilibria of Natural Gas Hydrates in the Presence of Methanol, Ethylene Glycol, and NaCl Aqueous Solutions [J]. Industrial & Engineering Chemistry Research, 2011, 50 (14): 8750-8755.
[9]	Sloan Jr E D, Koh C A. Clathrate hydrates of natural gases [M]. CRC press, 2007.
[10]	Seol J, Koh D Y, Cha M, et al. Experimental verification of anomalous chloride enrichment related to methane hydrate formation in deep-sea sediments [J]. AIChE journal, 2012, 58 (1): 322-328.
[11]	Liu C, Zhou X, Liang D. Molecular insight into carbon dioxide hydrate formation from saline solution [J]. RSC Advances, 2021, 11 (50): 31583-31589.
[12]	Yi L, Liang D, Zhou X, et al. Molecular dynamics simulations of carbon dioxide hydrate growth in electrolyte solutions of NaCl and MgCl₂ [J]. Molecular Physics, 2014, 112 (24): 3127-3137.
[13]	Michalis V K, Costandy J, Tsimpanogiannis I N, et al. Prediction of the phase equilibria of methane hydrates using the direct phase coexistence methodology [J]. The Journal of Chemical Physics, 2015, 142 (4): 044501.
[14]	Abascal J L F, Sanz E, García Fernández R, et al. A potential model for the study of ices and amorphous water: TIP4P/Ice [J]. The Journal of Chemical Physics, 2005, 122 (23): 234511.
[15]	Jorgensen W L, Madura J D, Swenson C J. Optimized intermolecular potential functions for liquid hydrocarbons [J]. Journal of the American Chemical Society, 1984, 106 (22): 6638-6646.
[16]	Hess B, Bekker H, Berendsen H J C, et al. LINCS: A Linear Constraint Solver for molecular simulations [J]. Journal of Computational Chemistry, 1997, 18 (12): 1463-1472.
[17]	Essmann U, Perera L, Berkowitz M L, et al. A smooth particle mesh Ewald method [J]. The Journal of Chemical Physics, 1995, 103 (19): 8577-8593.
[18]	Hoover W G. Canonical dynamics: Equilibrium phase-space distributions [J]. Physical review A, 1985, 31 (3): 1695.
[19]	Parrinello M, Rahman A. Polymorphic transitions in single crystals: A new molecular dynamics method [J]. Journal of Applied Physics, 1981, 52 (12): 7182-7190.
[20]	Abraham M J, Murtola T, Schulz R, et al. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers [J]. SoftwareX, 2015, 1-2: 19-25.
[21]	Humphrey W, Dalke A, Schulten K. VMD: Visual molecular dynamics [J]. Journal of Molecular Graphics, 1996, 14 (1): 33-38.
[22]	Bai D, Chen G, Zhang X, et al. Microsecond molecular dynamics simulations of the kinetic pathways of gas hydrate formation from solid surfaces [J]. Langmuir, 2011, 27 (10): 5961-5967.
[23]	Buanes T, Kvamme B, Svandal A. Computer simulation of CO₂ hydrate growth [J]. Journal of crystal growth, 2006, 287 (2): 491-494.
[24]	Pang J, Liang Y, Masuda Y, et al. Structural Transition of the Methane–Ethane Mixture Hydrate in a Hydrate / Water / Hydrocarbon Three-Phase Coexistence System: Effect of Gas Concentration [J]. ACS Sustainable Chemistry & Engineering, 2020, 8 (45): 16924-16937.

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APA Style

Hui Wang, Yi Lu, Xiaoxin Zhang, Qi Fan, Qingping Li, et al. (2023). Study on Carbon Storage by CO2 Hydrate Formation in the Ion-Containing Environment. Science Discovery, 11(3), 83-89. https://doi.org/10.11648/j.sd.20231103.11

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ACS Style

Hui Wang; Yi Lu; Xiaoxin Zhang; Qi Fan; Qingping Li, et al. Study on Carbon Storage by CO2 Hydrate Formation in the Ion-Containing Environment. Sci. Discov. 2023, 11(3), 83-89. doi: 10.11648/j.sd.20231103.11

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AMA Style

Hui Wang, Yi Lu, Xiaoxin Zhang, Qi Fan, Qingping Li, et al. Study on Carbon Storage by CO2 Hydrate Formation in the Ion-Containing Environment. Sci Discov. 2023;11(3):83-89. doi: 10.11648/j.sd.20231103.11

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@article{10.11648/j.sd.20231103.11,
  author = {Hui Wang and Yi Lu and Xiaoxin Zhang and Qi Fan and Qingping Li and Lunxiang Zhang and Jiafei Zhao and Lei Yang and Yongchen Song},
  title = {Study on Carbon Storage by CO2 Hydrate Formation in the Ion-Containing Environment},
  journal = {Science Discovery},
  volume = {11},
  number = {3},
  pages = {83-89},
  doi = {10.11648/j.sd.20231103.11},
  url = {https://doi.org/10.11648/j.sd.20231103.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.sd.20231103.11},
  abstract = {The current greenhouse effect caused by massive CO2 accumulation must be addressed urgently. Because of the ocean's enormous capacity, the high density of CO2 hydrate, and the high stability of CO2 sequestration in hydrate form, the process of hydrate generation can trap CO2 molecules into the lattice of water molecules and is considered for the sequestration of CO2 in hydrate form in the ocean. In this paper, molecular dynamics (MD) simulations are used to investigate the kinetic behavior of CO2 hydrate growth in ion-containing electrolyte solutions. The mechanism of salt ion effect on hydrate growth during pressure changes is investigated. The simulations show that in the presence of salt ions, the hydrate growth rate fluctuates significantly, despite the fact that a greater driving force can facilitate the hydrate growth process. Higher pressures increase guest molecule occupancy in the hydrate cage, while the saline environment causes competition for water molecules between the hydrate cage and salt ions, increasing the proportion of empty cages. Lower pressures and the presence of salt ions reduce CO2 molecules' selectivity for the smaller 512 cages, creating a barrier to hydrate growth. The findings of the study look at the microscopic mechanism of CO2 hydrate generation in seawater and serve as a guide for future implementation of hydrate method CO2 sequestration technology in the marine environment.},
 year = {2023}
}

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TY  - JOUR
T1  - Study on Carbon Storage by CO2 Hydrate Formation in the Ion-Containing Environment
AU  - Hui Wang
AU  - Yi Lu
AU  - Xiaoxin Zhang
AU  - Qi Fan
AU  - Qingping Li
AU  - Lunxiang Zhang
AU  - Jiafei Zhao
AU  - Lei Yang
AU  - Yongchen Song
Y1  - 2023/05/18
PY  - 2023
N1  - https://doi.org/10.11648/j.sd.20231103.11
DO  - 10.11648/j.sd.20231103.11
T2  - Science Discovery
JF  - Science Discovery
JO  - Science Discovery
SP  - 83
EP  - 89
PB  - Science Publishing Group
SN  - 2331-0650
UR  - https://doi.org/10.11648/j.sd.20231103.11
AB  - The current greenhouse effect caused by massive CO2 accumulation must be addressed urgently. Because of the ocean's enormous capacity, the high density of CO2 hydrate, and the high stability of CO2 sequestration in hydrate form, the process of hydrate generation can trap CO2 molecules into the lattice of water molecules and is considered for the sequestration of CO2 in hydrate form in the ocean. In this paper, molecular dynamics (MD) simulations are used to investigate the kinetic behavior of CO2 hydrate growth in ion-containing electrolyte solutions. The mechanism of salt ion effect on hydrate growth during pressure changes is investigated. The simulations show that in the presence of salt ions, the hydrate growth rate fluctuates significantly, despite the fact that a greater driving force can facilitate the hydrate growth process. Higher pressures increase guest molecule occupancy in the hydrate cage, while the saline environment causes competition for water molecules between the hydrate cage and salt ions, increasing the proportion of empty cages. Lower pressures and the presence of salt ions reduce CO2 molecules' selectivity for the smaller 512 cages, creating a barrier to hydrate growth. The findings of the study look at the microscopic mechanism of CO2 hydrate generation in seawater and serve as a guide for future implementation of hydrate method CO2 sequestration technology in the marine environment.
VL  - 11
IS  - 3
ER  -

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Author Information

Hui Wang

Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, School of Energy and Power Engineering, Dalian University of Technology, Dalian, China
Yi Lu

Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, School of Energy and Power Engineering, Dalian University of Technology, Dalian, China
Xiaoxin Zhang

Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, School of Energy and Power Engineering, Dalian University of Technology, Dalian, China
Qi Fan

State Key Laboratory of Natural Gas Hydrate, China National Offshore Oil Corporation, Beijing, China
Qingping Li

State Key Laboratory of Natural Gas Hydrate, China National Offshore Oil Corporation, Beijing, China
Lunxiang Zhang

Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, School of Energy and Power Engineering, Dalian University of Technology, Dalian, China
Jiafei Zhao

Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, School of Energy and Power Engineering, Dalian University of Technology, Dalian, China
Lei Yang

Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, School of Energy and Power Engineering, Dalian University of Technology, Dalian, China
Yongchen Song

Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, School of Energy and Power Engineering, Dalian University of Technology, Dalian, China

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Plain Text BibTeX RIS

APA Style

Hui Wang, Yi Lu, Xiaoxin Zhang, Qi Fan, Qingping Li, et al. (2023). Study on Carbon Storage by CO2 Hydrate Formation in the Ion-Containing Environment. Science Discovery, 11(3), 83-89. https://doi.org/10.11648/j.sd.20231103.11

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ACS Style

Hui Wang; Yi Lu; Xiaoxin Zhang; Qi Fan; Qingping Li, et al. Study on Carbon Storage by CO2 Hydrate Formation in the Ion-Containing Environment. Sci. Discov. 2023, 11(3), 83-89. doi: 10.11648/j.sd.20231103.11

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AMA Style

Hui Wang, Yi Lu, Xiaoxin Zhang, Qi Fan, Qingping Li, et al. Study on Carbon Storage by CO2 Hydrate Formation in the Ion-Containing Environment. Sci Discov. 2023;11(3):83-89. doi: 10.11648/j.sd.20231103.11

Copy | Download

@article{10.11648/j.sd.20231103.11,
  author = {Hui Wang and Yi Lu and Xiaoxin Zhang and Qi Fan and Qingping Li and Lunxiang Zhang and Jiafei Zhao and Lei Yang and Yongchen Song},
  title = {Study on Carbon Storage by CO2 Hydrate Formation in the Ion-Containing Environment},
  journal = {Science Discovery},
  volume = {11},
  number = {3},
  pages = {83-89},
  doi = {10.11648/j.sd.20231103.11},
  url = {https://doi.org/10.11648/j.sd.20231103.11},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.sd.20231103.11},
  abstract = {The current greenhouse effect caused by massive CO2 accumulation must be addressed urgently. Because of the ocean's enormous capacity, the high density of CO2 hydrate, and the high stability of CO2 sequestration in hydrate form, the process of hydrate generation can trap CO2 molecules into the lattice of water molecules and is considered for the sequestration of CO2 in hydrate form in the ocean. In this paper, molecular dynamics (MD) simulations are used to investigate the kinetic behavior of CO2 hydrate growth in ion-containing electrolyte solutions. The mechanism of salt ion effect on hydrate growth during pressure changes is investigated. The simulations show that in the presence of salt ions, the hydrate growth rate fluctuates significantly, despite the fact that a greater driving force can facilitate the hydrate growth process. Higher pressures increase guest molecule occupancy in the hydrate cage, while the saline environment causes competition for water molecules between the hydrate cage and salt ions, increasing the proportion of empty cages. Lower pressures and the presence of salt ions reduce CO2 molecules' selectivity for the smaller 512 cages, creating a barrier to hydrate growth. The findings of the study look at the microscopic mechanism of CO2 hydrate generation in seawater and serve as a guide for future implementation of hydrate method CO2 sequestration technology in the marine environment.},
 year = {2023}
}

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TY  - JOUR
T1  - Study on Carbon Storage by CO2 Hydrate Formation in the Ion-Containing Environment
AU  - Hui Wang
AU  - Yi Lu
AU  - Xiaoxin Zhang
AU  - Qi Fan
AU  - Qingping Li
AU  - Lunxiang Zhang
AU  - Jiafei Zhao
AU  - Lei Yang
AU  - Yongchen Song
Y1  - 2023/05/18
PY  - 2023
N1  - https://doi.org/10.11648/j.sd.20231103.11
DO  - 10.11648/j.sd.20231103.11
T2  - Science Discovery
JF  - Science Discovery
JO  - Science Discovery
SP  - 83
EP  - 89
PB  - Science Publishing Group
SN  - 2331-0650
UR  - https://doi.org/10.11648/j.sd.20231103.11
AB  - The current greenhouse effect caused by massive CO2 accumulation must be addressed urgently. Because of the ocean's enormous capacity, the high density of CO2 hydrate, and the high stability of CO2 sequestration in hydrate form, the process of hydrate generation can trap CO2 molecules into the lattice of water molecules and is considered for the sequestration of CO2 in hydrate form in the ocean. In this paper, molecular dynamics (MD) simulations are used to investigate the kinetic behavior of CO2 hydrate growth in ion-containing electrolyte solutions. The mechanism of salt ion effect on hydrate growth during pressure changes is investigated. The simulations show that in the presence of salt ions, the hydrate growth rate fluctuates significantly, despite the fact that a greater driving force can facilitate the hydrate growth process. Higher pressures increase guest molecule occupancy in the hydrate cage, while the saline environment causes competition for water molecules between the hydrate cage and salt ions, increasing the proportion of empty cages. Lower pressures and the presence of salt ions reduce CO2 molecules' selectivity for the smaller 512 cages, creating a barrier to hydrate growth. The findings of the study look at the microscopic mechanism of CO2 hydrate generation in seawater and serve as a guide for future implementation of hydrate method CO2 sequestration technology in the marine environment.
VL  - 11
IS  - 3
ER  -

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