In silico study of the influences of cooling rates on the phase transition of water inside the carbon nanotube under different ambient pressures

Vi Toan Lam, Giang Hoang Nguyen, Hoa Van Nguyen, Phi Minh Nguyen, Hanh Thi Thu Tran
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Authors

  • Vi Toan Lam \(^{1}\)Laboratory of Computational Physics, Faculty of Applied Science, Ho Chi Minh City University of Technology (HCMUT), Ho Chi Minh City, 268 Ly Thuong Kiet Street, District 10, Ho Chi Minh City, Vietnam;<br/> \(^{2}\)Vietnam National University Ho Chi Minh City, Linh Trung Ward, Thu Duc District, Ho Chi Minh City, Vietnam https://orcid.org/0000-0002-9701-6222
  • Giang Hoang Nguyen \(^{1}\)Laboratory of Computational Physics, Faculty of Applied Science, Ho Chi Minh City University of Technology (HCMUT), Ho Chi Minh City, 268 Ly Thuong Kiet Street, District 10, Ho Chi Minh City, Vietnam;<br/> \(^{2}\)Vietnam National University Ho Chi Minh City, Linh Trung Ward, Thu Duc District, Ho Chi Minh City, Vietnam
  • Hoa Van Nguyen \(^{1}\)Laboratory of Computational Physics, Faculty of Applied Science, Ho Chi Minh City University of Technology (HCMUT), Ho Chi Minh City, 268 Ly Thuong Kiet Street, District 10, Ho Chi Minh City, Vietnam;<br/> \(^{2}\)Vietnam National University Ho Chi Minh City, Linh Trung Ward, Thu Duc District, Ho Chi Minh City, Vietnam
  • Phi Minh Nguyen \(^{1}\)Laboratory of Computational Physics, Faculty of Applied Science, Ho Chi Minh City University of Technology (HCMUT), Ho Chi Minh City, 268 Ly Thuong Kiet Street, District 10, Ho Chi Minh City, Vietnam;<br/> \(^{2}\)Vietnam National University Ho Chi Minh City, Linh Trung Ward, Thu Duc District, Ho Chi Minh City, Vietnam
  • Hanh Thi Thu Tran \(^{1}\)Laboratory of Computational Physics, Faculty of Applied Science, Ho Chi Minh City University of Technology (HCMUT), Ho Chi Minh City, 268 Ly Thuong Kiet Street, District 10, Ho Chi Minh City, Vietnam;<br/> \(^{2}\)Vietnam National University Ho Chi Minh City, Linh Trung Ward, Thu Duc District, Ho Chi Minh City, Vietnam

DOI:

https://doi.org/10.15625/0868-3166/17301

Keywords:

carbon nanotube, phase transition, MD simulation

Abstract

By using MD simulation method, this study shows the influences of cooling rates on the solidifying temperature of water inside a single-wall-carbon-nanotube under different ambient pressures when cooling the systems from 300 K down to 200 K. Our results showed that the more rapid cooling rate of the systems creates more disruptive and dramatic phase transitions. Moreover, we also found that the lower of pressures correlates to the more dramatic phase transitions of water, regardless of cooling rate. This study generally provides more insight into water behavior in the SWCNT with variations in ambient conditions.

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Published

03-11-2022

How to Cite

[1]
V. T. Lam, H. G. Nguyen, V. H. Nguyen, M. P. Nguyen, and T. T. H. Tran, “In silico study of the influences of cooling rates on the phase transition of water inside the carbon nanotube under different ambient pressures”, Comm. Phys., vol. 33, no. 1, p. 51, Nov. 2022.

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Papers
Received 06-07-2022
Accepted 12-09-2022
Published 03-11-2022