CO2 Hydrate Nucleation Kinetics Enhanced by an Organo-Mineral Complex Formed at the Montmorillonite Water Interface
In this study, we investigated experimentally and computationally the effect of organo-mineral complexes on the nucleation kinetics of CO2 hydrate. These complexes formed via adsorption of zwitter-ionic glycine (Gly-zw) onto the surface of sodium montmorillonite (Na-MMT). The electrostatic attractio...
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2015
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Online Access: | http://hdl.handle.net/10203/195531 https://doi.org/10.1021/es504450x |
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ftkoasas:oai:koasas.kaist.ac.kr:10203/195531 2023-05-15T17:12:04+02:00 CO2 Hydrate Nucleation Kinetics Enhanced by an Organo-Mineral Complex Formed at the Montmorillonite Water Interface Kyung, DS Kyung, Daeseung Lim, HK Lim, Hyung Kyu Kim, HJ Kim, Hyung-Jun Lee, WJ Lee, Woo-Jin 201501 http://hdl.handle.net/10203/195531 https://doi.org/10.1021/es504450x ENG eng AMER CHEMICAL SOC MOLECULAR-DYNAMICS SIMULATIONS; CARBON-DIOXIDE HYDRATE; METHANE HYDRATE; SEDIMENT SUSPENSIONS; NA-MONTMORILLONITE; DISSOLUTION RATES; PHASE-EQUILIBRIUM; AMINO-ACIDS; FORCE-FIELD; ADSORPTION ARTICLE A 2015 ftkoasas https://doi.org/10.1021/es504450x 2015-07-30T23:59:02Z In this study, we investigated experimentally and computationally the effect of organo-mineral complexes on the nucleation kinetics of CO2 hydrate. These complexes formed via adsorption of zwitter-ionic glycine (Gly-zw) onto the surface of sodium montmorillonite (Na-MMT). The electrostatic attraction between the -NH3+ group of Gly-zw, and the negatively charged Na-MMT surface, provides the thermodynamic driving force for the organo-mineral complexation. We suggest that the complexation of Gly-zw on the Na-MMT surface accelerates CO2 hydrate nucleation kinetics by increasing the mineral-water interfacial area (thus increasing the number of effective hydrate-nucleation sites), and also by suppressing the thermal fluctuation of solvated Na+ (a well-known hydrate formation inhibitor) in the vicinity of the mineral surface by coordinating with the -COO- groups of Gly-zw. We further confirmed that the local density of hydrate-forming molecules (i.e., reactants of CO2 and water) at the mineral surface (regardless of the presence of Gly-zw) becomes greater than that of bulk phase. This is expected to promote the hydrate nucleation kinetics at the surface. Our study sheds new light on CO2 hydrate nucleation kinetics in heterogeneous marine environments, and could provide knowledge fundamental to successful CO2 sequestration under seabed sediments. Article in Journal/Newspaper Methane hydrate Korea Advanced Institute of Science and Technology: KOASAS - KAIST Open Access Self-Archiving System Environmental Science & Technology 49 2 1197 1205 |
institution |
Open Polar |
collection |
Korea Advanced Institute of Science and Technology: KOASAS - KAIST Open Access Self-Archiving System |
op_collection_id |
ftkoasas |
language |
English |
topic |
MOLECULAR-DYNAMICS SIMULATIONS; CARBON-DIOXIDE HYDRATE; METHANE HYDRATE; SEDIMENT SUSPENSIONS; NA-MONTMORILLONITE; DISSOLUTION RATES; PHASE-EQUILIBRIUM; AMINO-ACIDS; FORCE-FIELD; ADSORPTION |
spellingShingle |
MOLECULAR-DYNAMICS SIMULATIONS; CARBON-DIOXIDE HYDRATE; METHANE HYDRATE; SEDIMENT SUSPENSIONS; NA-MONTMORILLONITE; DISSOLUTION RATES; PHASE-EQUILIBRIUM; AMINO-ACIDS; FORCE-FIELD; ADSORPTION Kyung, DS Kyung, Daeseung Lim, HK Lim, Hyung Kyu Kim, HJ Kim, Hyung-Jun Lee, WJ Lee, Woo-Jin CO2 Hydrate Nucleation Kinetics Enhanced by an Organo-Mineral Complex Formed at the Montmorillonite Water Interface |
topic_facet |
MOLECULAR-DYNAMICS SIMULATIONS; CARBON-DIOXIDE HYDRATE; METHANE HYDRATE; SEDIMENT SUSPENSIONS; NA-MONTMORILLONITE; DISSOLUTION RATES; PHASE-EQUILIBRIUM; AMINO-ACIDS; FORCE-FIELD; ADSORPTION |
description |
In this study, we investigated experimentally and computationally the effect of organo-mineral complexes on the nucleation kinetics of CO2 hydrate. These complexes formed via adsorption of zwitter-ionic glycine (Gly-zw) onto the surface of sodium montmorillonite (Na-MMT). The electrostatic attraction between the -NH3+ group of Gly-zw, and the negatively charged Na-MMT surface, provides the thermodynamic driving force for the organo-mineral complexation. We suggest that the complexation of Gly-zw on the Na-MMT surface accelerates CO2 hydrate nucleation kinetics by increasing the mineral-water interfacial area (thus increasing the number of effective hydrate-nucleation sites), and also by suppressing the thermal fluctuation of solvated Na+ (a well-known hydrate formation inhibitor) in the vicinity of the mineral surface by coordinating with the -COO- groups of Gly-zw. We further confirmed that the local density of hydrate-forming molecules (i.e., reactants of CO2 and water) at the mineral surface (regardless of the presence of Gly-zw) becomes greater than that of bulk phase. This is expected to promote the hydrate nucleation kinetics at the surface. Our study sheds new light on CO2 hydrate nucleation kinetics in heterogeneous marine environments, and could provide knowledge fundamental to successful CO2 sequestration under seabed sediments. |
format |
Article in Journal/Newspaper |
author |
Kyung, DS Kyung, Daeseung Lim, HK Lim, Hyung Kyu Kim, HJ Kim, Hyung-Jun Lee, WJ Lee, Woo-Jin |
author_facet |
Kyung, DS Kyung, Daeseung Lim, HK Lim, Hyung Kyu Kim, HJ Kim, Hyung-Jun Lee, WJ Lee, Woo-Jin |
author_sort |
Kyung, DS Kyung, Daeseung |
title |
CO2 Hydrate Nucleation Kinetics Enhanced by an Organo-Mineral Complex Formed at the Montmorillonite Water Interface |
title_short |
CO2 Hydrate Nucleation Kinetics Enhanced by an Organo-Mineral Complex Formed at the Montmorillonite Water Interface |
title_full |
CO2 Hydrate Nucleation Kinetics Enhanced by an Organo-Mineral Complex Formed at the Montmorillonite Water Interface |
title_fullStr |
CO2 Hydrate Nucleation Kinetics Enhanced by an Organo-Mineral Complex Formed at the Montmorillonite Water Interface |
title_full_unstemmed |
CO2 Hydrate Nucleation Kinetics Enhanced by an Organo-Mineral Complex Formed at the Montmorillonite Water Interface |
title_sort |
co2 hydrate nucleation kinetics enhanced by an organo-mineral complex formed at the montmorillonite water interface |
publisher |
AMER CHEMICAL SOC |
publishDate |
2015 |
url |
http://hdl.handle.net/10203/195531 https://doi.org/10.1021/es504450x |
genre |
Methane hydrate |
genre_facet |
Methane hydrate |
op_doi |
https://doi.org/10.1021/es504450x |
container_title |
Environmental Science & Technology |
container_volume |
49 |
container_issue |
2 |
container_start_page |
1197 |
op_container_end_page |
1205 |
_version_ |
1766068833637892096 |