کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9728000 | 1480215 | 2005 | 12 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Study of melting of molecular crystals by a modified Pople-Karasz model
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
ریاضیات
فیزیک ریاضی
پیش نمایش صفحه اول مقاله

چکیده انگلیسی
A new modified model that combines the modified models of Chandrasekhar et al. with those of Keskin and Ãzgan, which are based on the Pople-Karasz theory, is applied to study the thermodynamics of melting and solid-solid transitions of molecular crystals. The thermodynamic properties of the disordered system are evaluated relative to those of the perfectly ordered one using the lowest approximation of the cluster-variation method, which is identical to the mean-field approximation. A good agreement is found between the present modified theory and the available experimental data. For melting transitions the agreement is excellent and much better than with the calculations of the Pople-Karasz theory and its previous modified theories. Approximate agreement is obtained for the solid-solid transitions. However, for these transition the experimental agreement with the present modified theory is still better than previous modified theories except at zero and low pressures.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Physica A: Statistical Mechanics and its Applications - Volume 346, Issues 3â4, 15 February 2005, Pages 327-338
Journal: Physica A: Statistical Mechanics and its Applications - Volume 346, Issues 3â4, 15 February 2005, Pages 327-338
نویسندگان
Mustafa Yazıcı, Åükrü Ãzgan, Mustafa Keskin,