The wall spring constant variation effect on distribution of Lennard-Jones fluid in nanochannel by molecular dynamic simulation

In order to simulate the heat transfer process from wall to fluid in nanochannel numerically, extensive range of spring constants with regard to wall material is used. In this paper, the effect of variation in wall spring constant on the heat transfer and distribution of the macroscopic properties of fluid has investigated. In this regard, heat transfer in argon gas between two stationary walls of a 5.4 nm nanochannel with Knudsen number 10 has simulated using the molecular dynamic method. Comparison between the results shows that by reducing the wall spring constant, the amplitude of wall atoms vibration increased so it makes the gas atoms to become closer to the wall surface that results in an increase in the heat flux and thermal conductivity coefficient of the gas. Evaluating the result reveals that while the spring constant reduces from k_s=1100εσ^(-2) to k_s=100εσ^(-2), the thermal conductivity coefficient of the gas changes from 0.11 mW⁄(m-K) to 0.27 mW⁄(m-K). Furthermore, the reduced distance between the gas atoms and wall surface results in a decrease in the temperature jump on the wall so it increases the gas density near the cold wall while it decreases near warm wall. Comparison between temperature, density and pressure profiles in the nanochannel height shows that regardless to the amount of spring constant variation, the maximum of these properties has occurred at σ⁄2 from the walls.