Direct Simulation Scheme Derived from the Boltzmann Equation. I. Monocomponent Gases

The stochastic law that prescribes the velocities of simulated molecules after a small time increment was derived from the Boltzmann equation. The scheme to determine the velocity of a molecule after a small time increment is divided into three steps. The first step gives the collision probability of the molecule without specifying its collision partner. The second step gives a conditional probability distribution. If the molecule is accepted in the first step as a colliding molecule, its collision partner is sampled from this probability distribution. The last step gives a probability density from which the direction of the relative velocity after collision is sampled, and hence the step gives the post-collision velocity of the molecule. It is shown that the use of the present simulation scheme gives an exact solution of the Boltzmann equation.