This work presents a kinetic Monte Carlo algorithm to solve the gas-phase chemistry in low-temperature plasmas, as a first effort to achieve a unified formulation of the electron and heavy-particle kinetics based on Monte Carlo techniques. The implemented algorithm is successfully validated in the thermodynamic limit from the comparison with the traditional deterministic description using rate-balance equations. The accuracy of the Monte Carlo description of the rare species strongly depends on the number of particles used in the simulation. To surpass this limitation, two novel variance reduction techniques that significantly reduce the statistical fluctuations on the concentrations of the minor species are proposed and evaluated. These techniques lead to significant gains in computational time, up to factors of the order of 10⁴ times in the cases studied, while ensuring the same quality of the solution.

这项工作提出了一种动力学蒙特卡罗算法，用于解决低温等离子体中的气相化学反应，这是基于蒙特卡洛技术实现电子和重粒子动力学统一表示的第一步。通过与使用速率平衡方程式的传统确定性描述进行比较，成功地在热力学极限中验证了所实现的算法。蒙特卡洛描述稀有物种的准确性在很大程度上取决于模拟中使用的粒子数量。为了克服此限制，提出并评估了两种新颖的减少方差的技术，这些技术可显着减少次要物种浓度的统计波动。这些技术可显着提高计算时间，最高可达10倍在保证案例质量不变的情况下，研究了⁴次。