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Solid–plastic and plastic–isotropic liquid phase transitions on molecular crystals

✍ Scribed by Şükrü Özgan; İskender Demi˙rkol

Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
268 KB
Volume
364
Category
Article
ISSN
0921-4526

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✦ Synopsis

Crystalline solid-plastic solid and plastic solid-isotropic liquid phase transitions are studied using a modified Pople and Karasz model. The thermodynamic properties of the model are evaluated by the cluster variation method. The variation of positional and orientational order parameters with temperature is studied. We have also obtained theoretical isotherms, volume and entropy changes of transitions at zero pressure and theoretical phase diagrams at high pressures. The results are compared with the original Pople and Karasz theory and the other by a modified Pople and Karasz theory which was done by Chandrasekhar et al.

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Neutron diffraction measurements have been made for cyclohexane, C,D,, as a function of temperature for bulk samples and also in porous silica with characteristic pore dimensions of -9OA. The results show that the simplifying assumption of cyclohexane as an unhindered rotator are not valid and that