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the total thermodynamic excess entropy sex, which accounts for all intermolecular (two-, three-,and higher-body)correlations, including translational contributions related to center-of-mass positional correlations and orientational contributions associated with correlations between the orientations of neighboring molecules.£¨È«Êǹ¹ÐÍ£¿£©

Under any certain macro-state, changes of the spatial location distribution of large number of particles in system lead to many microscopic state, which is called the configurational chaos degree. Entropy provided by the configurational chaos degree is called excess entropy, that is, S = kln¦¸.

The excess entropy Se, the difference between the system thermodynamic entropy£¨¾ÍÊÇÏµÍ³ìØ£¿£© and that of the equivalent ideal gas, is a measure of the number of accessible configurations of the system .¿ÉÒÔÓÐż·Ö²¼º¯Êý¼ÆËã³ö£¬Ö»ÊÇÓɹ¹ÐÍÒýÆðµÄ£¿        

It is found that a liquid¡¯s configurational entropy would not be proportional to its excess entropy over the crystal phase
Sexc = S£¨exc;vib£©+S£¨conf£© SvibÕñ¶¯×ÔÐý£¿Ó¦¸ÃÊôÓÚ¹¹ÐÍ£¿  Sconf = kB ln¦¸

[ Last edited by parklyn on 2010-9-1 at 11:44 ]
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