Excellence in Research and Innovation for Humanity

Assist. Prof. Dr. Ali Rajabpour

University

Imam Khomeini International University

Department

Mechanical Engineering Department

Research Fields

Computational Heat Transfer, Molecular Dynamics Simulation

Abstracts

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Heat Capacity of a Soluble in Water Protein: Equilibrium Molecular Dynamics Simulation
Abstract:
Heat transfer is of great importance to biological systems in order to function properly. In the present study, specific heat capacity as one of the most important heat transfer properties is calculated for a soluble in water Lysozyme protein. Using equilibrium molecular dynamics (MD) simulation, specific heat capacities of pure water, dry lysozyme, and lysozyme-water solution are calculated at 300K for different weight fractions. It is found that MD results are in good agreement with ideal binary mixing rule at small weight fractions. Results of all simulations have been validated with experimental data.