Paraffin is a soft solid colorless material composed mainly of multicomponent n-alkanes, which are hydrocarbons with the general formula CnH2n+2.Paraffin wax was modelled in LAMMPS using a slow cooling rate to allow the hydrocarbons to align in crystalline form. Using this crystalline model, the velocity autocorrelation function (VACF) and corresponding density of states (DOS) were derived. These were then used in FLASSH 1.0 to calculate the thermal scattering law (TSL) for paraffin wax as a crystalline material.
Publications
Development of Thermal Scattering Law and Cross Sections of Hydrogen in Paraffin Wax
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