The molecular flow in the hot wall epitaxial system has been studied by computer simulation using the Monte Carlo technique for the deposition of CdTe thin films. The number of wall collisions, intermolecular collisions, direct transmissions, number of molecules and flux density distributions along each volume of the tube, with different source temperatures and wall temperatures for various lengths and radii of the hot wall setup, have been simulated, then the optimal deposition conditions for the thermodynamic equilibrium of vapour transport are determined and experimentally validated.