A Quasi-One-Dimensional Model for a Chain of Water Molecules on the Nanometer Scale
WU Ke-Fei1,2, WAN Rong-Zheng1, WANG Chun-Lei1,2, REN Xiu-Ping1,2, FANG Hai-Ping1,3
1Shanghai Institute of Applied Physics, Chinese Academy of Sciences, PO Box 800-204, Shanghai 201800 2Graduate School of the Chinese Academy of Sciences, Beijing 100049 3Theoretical Physics Center for Science Facilities (TPCSF), Chinese Academy of Sciences, Beijing 100049
A Quasi-One-Dimensional Model for a Chain of Water Molecules on the Nanometer Scale
WU Ke-Fei1,2, WAN Rong-Zheng1, WANG Chun-Lei1,2, REN Xiu-Ping1,2, FANG Hai-Ping1,3
1Shanghai Institute of Applied Physics, Chinese Academy of Sciences, PO Box 800-204, Shanghai 201800 2Graduate School of the Chinese Academy of Sciences, Beijing 100049 3Theoretical Physics Center for Science Facilities (TPCSF), Chinese Academy of Sciences, Beijing 100049
摘要Water confined into the interior channels of narrow carbon nanotubes or transmembrane proteins can form collectively oriented molecular chains held together by tight hydrogen bonds. We develop a quasi-one-dimensional model for a chain of water molecules which interact with each other via the Coulomb and power-like repulsive interactions. We explore the equilibrium property of the water chain and derive an exact analytical expression for the total interaction energy of the water chain, denoted by W(0)int. It is found that W(0)int is minimal when the distance between the two neighboring water molecules in a hydrogen-bonded chain is equal to 0.265 nm. The model is expected to be useful for studying analytically the properties of single-file water molecules inside water channels, such as the concerted motion of water molecules.
Abstract：Water confined into the interior channels of narrow carbon nanotubes or transmembrane proteins can form collectively oriented molecular chains held together by tight hydrogen bonds. We develop a quasi-one-dimensional model for a chain of water molecules which interact with each other via the Coulomb and power-like repulsive interactions. We explore the equilibrium property of the water chain and derive an exact analytical expression for the total interaction energy of the water chain, denoted by W(0)int. It is found that W(0)int is minimal when the distance between the two neighboring water molecules in a hydrogen-bonded chain is equal to 0.265 nm. The model is expected to be useful for studying analytically the properties of single-file water molecules inside water channels, such as the concerted motion of water molecules.
WU Ke-Fei;WAN Rong-Zheng;WANG Chun-Lei;REN Xiu-Ping;FANG Hai-Ping;. A Quasi-One-Dimensional Model for a Chain of Water Molecules on the Nanometer Scale[J]. 中国物理快报, 2010, 27(3): 34501-034501.
WU Ke-Fei, WAN Rong-Zheng, WANG Chun-Lei, REN Xiu-Ping, FANG Hai-Ping,. A Quasi-One-Dimensional Model for a Chain of Water Molecules on the Nanometer Scale. Chin. Phys. Lett., 2010, 27(3): 34501-034501.
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2010, Vol. 27 
