The effect of an external magnetic field on the structure of liquid water using molecular dynamics simulation

Through a series of molecular dynamics simulations based on the flexible three-centered water model, this study analyzes the structural changes induced in liquid water by the application of a magnetic field with a strength ranging from 1to10T. It is found that the number of hydrogen bonds increases slightly as the strength of the magnetic field is increased. This implies that the size of a water cluster can be controlled by the application of an external magnetic field. The structure of the water is analyzed by calculating the radial distribution function of the water molecules. The results reveal that the structure of the water is more stable and the ability of the water molecules to form hydrogen bonds is enhanced when a magnetic field is applied. In addition, the behavior of the water molecules changes under the influence of a magnetic field; for example, the self-diffusion coefficient of the water molecules decreases.

[1]  Qi Wang,et al.  Transport behavior of water confined in carbon nanotubes , 2005 .

[2]  Jee-Gong Chang,et al.  The effects of confinement on the behavior of water molecules between parallel Au plates of (001) planes. , 2005, The Journal of chemical physics.

[3]  Akopian Sn,et al.  [A study of specific electrical conductivity of water by the action of constant magnetic field, electromagnetic field, and low-frequency mechanical vibrations]. , 2005 .

[4]  H. Inaba,et al.  EFFECT OF THE MAGNETIC FIELD ON THE MELTING TRANSITION OF H2O AND D2O MEASURED BY A HIGH RESOLUTION AND SUPERSENSITIVE DIFFERENTIAL SCANNING CALORIMETER , 2004 .

[5]  R. Krems.  Breaking van der Waals molecules with magnetic fields , 2004, physics/0505044.

[6]  Seiichiro Nakabayashi,et al.  Refractive Indices of Water and Aqueous Electrolyte Solutions under High Magnetic Fields , 2004 .

[7]  A. Ruchinskene,et al.  Corrosion Behavior of Low-Carbon Steel in Tap Water Treated with Permanent Magnetic Field , 2003 .

[8]  Seung‐Hwan Lee,et al.  Gas–Liquid Interface Deformation of Flowing Water in Gradient Magnetic Field –Influence of Flow Velocity and NaCl Concentration , 2003 .

[9]  J. Rasaiah,et al.  Computer simulation studies of aqueous sodium chloride solutions at 298 K and 683 K , 2000 .

[10]  A. Barannikov,et al.  Effect of magnetic field on the supercooling of water drops , 2000 .

[11]  A. Sugiyama,et al.  Dissolution Process of Copper Sulfate into Water in a Heterogeneous Vertical Magnetic Field , 2000 .

[12]  Yasuhiro Ikezoe,et al.  Magnetic Field Effect on the Kinetics of Oxygen Dissolution into Water , 2000 .

[13]  G. Lu,et al.  Monte Carlo simulation of liquid water in a magnetic field , 2000 .

[14]  N. Hirota,et al.  Magnetic field enhancement of water vaporization , 1999 .

[15]  Q. Spreiter,et al.  Classical Molecular Dynamics Simulation with the Velocity Verlet Algorithm at Strong External Magnetic Fields , 1999 .

[16]  S. Ueno,et al.  Structure of water molecules under 14 T magnetic field , 1998 .

[17]  Michael Levitt,et al.  Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution , 1997 .

[18]  K. Heinzinger,et al.  Molecular dynamics simulation of a chloride ion in water under the influence of an external electric field , 1996 .

[19]  Mark E. Tuckerman,et al.  Reversible multiple time scale molecular dynamics , 1992 .

[20]  I. Benjamin.  Theoretical study of the water/1,2‐dichloroethane interface: Structure, dynamics, and conformational equilibria at the liquid–liquid interface , 1992 .

[21]  J. M. Haile,et al.  Molecular dynamics simulation : elementary methods / J.M. Haile , 1992 .

[22]  Zhu,et al.  Molecular-dynamics study of liquid water in strong laser fields. , 1991, Physical review. A, Atomic, molecular, and optical physics.

[23]  J. Banavar,et al.  Computer Simulation of Liquids , 1988 .

[24]  L. Hermans,et al.  Experiments on the influence of magnetic fields on the viscosity of water and a water‐NaCl solution , 1982 .

[25]  J. Lielmezs,et al.  Weak transverse magnetic field effect on the viscosity of Mn(NO3)2H2O solution at several temperature , 1977 .