Based on the classical concept of atomic motion and the Goodman and Wachman lattice theory, we have developed a computer program to model the equilibrium and non-equilibrium scattering of helium atoms by 3D tungsten crystal lattice with allowance for adsorption surface coating. Within the concept of energy accommodation coefficient, we have calculated the rate of molecular heat transfer of helium to clean tungsten surface or to tungsten surface partially covered with an adsorbate. The calculations were performed for various surface temperatures. The calculated dependences were compared to test data obtained in experiments with surfaces controlled in terms of their chemical composition. Within the developed approach, the simulations proved capable of providing an adequate description to experimental data obtained for the equilibrium energy accommodation coefficient on the clean surface, and also for the non-equilibrium energy accommodation coefficient for the surface partially covered with adsorbate. © 2010 Pleiades Publishing, Ltd.