Using molecular dynamics to unravel phase composition behavior of nano-size pores in frozen soils: Does Young–Laplace equation apply in low temperature range?
The phase composition curve of frozen soils is a fundamental relationship in understanding permafrost and seasonally frozen soils. However, due to the complex interplay between adsorption and capillarity, a clear physically based understanding of the phase composition curve in the low temperature ra...
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ftmichigantuniv:oai:digitalcommons.mtu.edu:cee-fp-1035 2023-05-15T17:57:48+02:00 Using molecular dynamics to unravel phase composition behavior of nano-size pores in frozen soils: Does Young–Laplace equation apply in low temperature range? Zhang, Chao Liu, Zhen Deng, Peng 2017-12-12T08:00:00Z https://digitalcommons.mtu.edu/cee-fp/39 https://doi.org/10.1139/cgj-2016-0150 unknown Digital Commons @ Michigan Tech https://digitalcommons.mtu.edu/cee-fp/39 https://doi.org/10.1139/cgj-2016-0150 Department of Civil, Environmental, and Geospatial Engineering Publications frozen soils molecular dynamics pore size phase composition curves unfrozen adsorptive water Young–Laplace equation wettability Civil and Environmental Engineering text 2017 ftmichigantuniv https://doi.org/10.1139/cgj-2016-0150 2022-01-23T10:34:55Z The phase composition curve of frozen soils is a fundamental relationship in understanding permafrost and seasonally frozen soils. However, due to the complex interplay between adsorption and capillarity, a clear physically based understanding of the phase composition curve in the low temperature range, i.e., <265 K, is still absent. Especially, it is unclear whether the Young–Laplace equation corresponding to capillarity still holds in nano-size pores where adsorption could dominate. In this paper, a framework based on molecular dynamics was developed to investigate the phase transition behavior of water confined in nano-size pores. A series of simulations was conducted to unravel the effects of the pore size and wettability on the freezing and melting of pore water. This is the first time that the phase composition behavior of frozen soils is analyzed using molecular dynamics. It is found that the Young–Laplace equation may not apply in the low temperature range. Text permafrost Michigan Technological University: Digital Commons @ Michigan Tech Laplace ENVELOPE(141.467,141.467,-66.782,-66.782) Canadian Geotechnical Journal 55 8 1144 1153 |
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Michigan Technological University: Digital Commons @ Michigan Tech |
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ftmichigantuniv |
language |
unknown |
topic |
frozen soils molecular dynamics pore size phase composition curves unfrozen adsorptive water Young–Laplace equation wettability Civil and Environmental Engineering |
spellingShingle |
frozen soils molecular dynamics pore size phase composition curves unfrozen adsorptive water Young–Laplace equation wettability Civil and Environmental Engineering Zhang, Chao Liu, Zhen Deng, Peng Using molecular dynamics to unravel phase composition behavior of nano-size pores in frozen soils: Does Young–Laplace equation apply in low temperature range? |
topic_facet |
frozen soils molecular dynamics pore size phase composition curves unfrozen adsorptive water Young–Laplace equation wettability Civil and Environmental Engineering |
description |
The phase composition curve of frozen soils is a fundamental relationship in understanding permafrost and seasonally frozen soils. However, due to the complex interplay between adsorption and capillarity, a clear physically based understanding of the phase composition curve in the low temperature range, i.e., <265 K, is still absent. Especially, it is unclear whether the Young–Laplace equation corresponding to capillarity still holds in nano-size pores where adsorption could dominate. In this paper, a framework based on molecular dynamics was developed to investigate the phase transition behavior of water confined in nano-size pores. A series of simulations was conducted to unravel the effects of the pore size and wettability on the freezing and melting of pore water. This is the first time that the phase composition behavior of frozen soils is analyzed using molecular dynamics. It is found that the Young–Laplace equation may not apply in the low temperature range. |
format |
Text |
author |
Zhang, Chao Liu, Zhen Deng, Peng |
author_facet |
Zhang, Chao Liu, Zhen Deng, Peng |
author_sort |
Zhang, Chao |
title |
Using molecular dynamics to unravel phase composition behavior of nano-size pores in frozen soils: Does Young–Laplace equation apply in low temperature range? |
title_short |
Using molecular dynamics to unravel phase composition behavior of nano-size pores in frozen soils: Does Young–Laplace equation apply in low temperature range? |
title_full |
Using molecular dynamics to unravel phase composition behavior of nano-size pores in frozen soils: Does Young–Laplace equation apply in low temperature range? |
title_fullStr |
Using molecular dynamics to unravel phase composition behavior of nano-size pores in frozen soils: Does Young–Laplace equation apply in low temperature range? |
title_full_unstemmed |
Using molecular dynamics to unravel phase composition behavior of nano-size pores in frozen soils: Does Young–Laplace equation apply in low temperature range? |
title_sort |
using molecular dynamics to unravel phase composition behavior of nano-size pores in frozen soils: does young–laplace equation apply in low temperature range? |
publisher |
Digital Commons @ Michigan Tech |
publishDate |
2017 |
url |
https://digitalcommons.mtu.edu/cee-fp/39 https://doi.org/10.1139/cgj-2016-0150 |
long_lat |
ENVELOPE(141.467,141.467,-66.782,-66.782) |
geographic |
Laplace |
geographic_facet |
Laplace |
genre |
permafrost |
genre_facet |
permafrost |
op_source |
Department of Civil, Environmental, and Geospatial Engineering Publications |
op_relation |
https://digitalcommons.mtu.edu/cee-fp/39 https://doi.org/10.1139/cgj-2016-0150 |
op_doi |
https://doi.org/10.1139/cgj-2016-0150 |
container_title |
Canadian Geotechnical Journal |
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55 |
container_issue |
8 |
container_start_page |
1144 |
op_container_end_page |
1153 |
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1766166300569108480 |