Analytical Formula of Heat Capacity in Soft Matter Materials Using Lennard-Jones Potential
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Researchers |
Marwan Al-Raeei – Moustafa Sayem El-Daher |
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Published in |
Chemical Physics Letters, Volume 734, Article 136729, November 2019 |
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Abstract |
We derive an analytical formula of heat capacity based on the solutions of Ornstein–Zernike equation of Lennard-Jones potential within the Mean Spherical Approximation (MSA) assuming that the system is of low density, homogeneous, isotropic and composed of one component. We apply the derived formula to find the heat capacity at constant volume and the heat capacity at constant pressure for a number of polymers namely: Polycarbonate, Polymethylmethacrylate, Polystyrene, Polyacrylonitrile, Polyvinyl acetate, Polyvinyl propionate, Polybutylacrylate and Polyisobutylmethacrylate polymers. We also calculate the heat capacity at constant volume and the heat capacity at constant pressure for some hydrocarbons. Key words: Heat capacity; Soft matter; Lenard-Jones potential; Ornstein-Zernike equation; Glass transition temperature. |
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