ABSTRACT

Thermal motion of particles in all aggregation states of matter includes oscillation about an equilibrium, and translational and rotation motions. Molecular dynamics is that particular element that joins all transport processes: ‘mass transfer’, ‘viscosity’ and ‘thermal conductivity’. Viscosity is the transfer of momentum. Heat transfer under conditions of temperature gradient is named thermal conductivity. In the heat transfer process, the temperature change of a body is the quotient of the heat transferred divided by the heat capacity. ‘Viscosity’ is another important parameter that characterizes the transport processes. Diffusion is often regarded as mere mass transfer only, although the latter is performed just in a flow of particles at gradient of concentrations or other external forces such as potential difference. The diffusion term includes mass transfer, and in this case it is called ‘interdiffusion’, and thermal motion of particles in the absence of the concentration gradient, the so-called ‘self diffusion’.