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Study on ion dipole mixtures by use of cluster expansion method
Lu Guiwu, Zhou Kaixue, Chu Jun, Ren Lanting
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    1999, 16 (4): 351-357.  
Abstract163)      PDF (252KB)(1059)      
Based on the interaction of all particles in solution,a mixture of ions and point dipoles as an electrolyte solution is proposed.The partition functions,Virial coefficient and internal energy are calculated by using cluster expansion method. It is found that the partition function can be expanded in cluster integrals whi ch are easily calculated without three body interaction.Related numerical resul ts have been given and discussed.
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MONTE-CARLO STUDY OF ENERGY OF LIQUID WATER IN MAGNETIC FIELD
Lu Guiwu, Zhou Kaixue, Chu Jun
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    1998, 15 (4): 503-508.  
Abstract275)      PDF (230KB)(1274)      
Effect of a magnetic field on potential energy of liquid water are investigated for first time using classical Monte-Carlo computer simulation and a water model L-J. The relationships between energy and magnetic flux density and temperature have been studied by calculating potential energy and radial distribution function (RDF) of a system containing 64 water molecules. Comparisons with the field-off system are made throughout. It is found that the computer simulation is in agreement with experimental results.
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