Accelerating water wet-dry phase transitions in a one-dimensional carbon nanotube
Creators
- 1. School of Material Science and Physics, China University of Mining and Technology, Xuzhou 221116 (China)
Description
Highlights: • Fast water phase transitions appear in a tandem carbon nanotube. • The occupancy and transfer rate of water molecules can be tuned by the transverse electric field. Due to the electric shielding effect, achieving water wet-dry phase transitions in a one-dimensional (1D) CNT is difficult. In this article, water properties in the tandem carbon nanotubes (TCNTs) are studied and discussed with molecular dynamics simulations. Compared with water molecules in a single CNT, water molecules in the TCNT can achieve fast wet-dry phase transitions under the transverse electric field. Water occupancy in the TCNT increases with the increase of the nanojunction under no or a weak electric field. However, water occupancy in the TCNT decreases with the increase of the nanojunction under a strong electric field. With increasing the electric field, the transfer rate through the TCNT with a large nanojunction decreases sharply, while the transfer rate through the TCNT with a small nanojunction changes slightly. The interaction between water molecules and the TCNT is adopted to explain the fast wet-dry phase transitions under the transverse electric field.
Availability note (English)
Available from http://dx.doi.org/10.1016/j.chemphys.2021.111300Additional details
Identifiers
- DOI
- 10.1016/j.chemphys.2021.111300;
- PII
- S0301010421002111;
Publishing Information
- Journal Title
- Chemical Physics
- Journal Volume
- 550
- Journal Page Range
- vp.
- ISSN
- 0301-0104
- CODEN
- CMPHC2
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 54012304
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- CARBON NANOTUBES; COMPARATIVE EVALUATIONS; ELECTRIC FIELDS; INTERACTIONS; MOLECULAR DYNAMICS METHOD; PHASE TRANSFORMATIONS; SIMULATION; WATER
- Descriptors DEC
- CALCULATION METHODS; CARBON; ELEMENTS; EVALUATION; HYDROGEN COMPOUNDS; NANOSTRUCTURES; NANOTUBES; NONMETALS; OXYGEN COMPOUNDS
Optional Information
- Copyright
- Copyright (c) 2021 Elsevier B.V. All rights reserved.