Plasma activated water has shown great promise in a number of emerging application domains; yet the interaction between non-equilibrium plasma and liquid represents a complex multiphase process that is difficult to probe experimentally, necessitating the development of accurate numerical models. In this work, a global computational model was developed to follow the concentrations of aqueous reactive species in water treated using a surface barrier discharge in ambient air. While the two-film theory has long superseded other methods of modelling mass transfer in such areas of research as environmental and aerosol science, plasma modelling studies continue to use equilibrium and one-film theories. The transport of reactive species across the gas–liquid interface was therefore treated using the one-film and two-film theories, with the results compared to ascertain which is most appropriate for PAW modelling studies. Comparing the model-predicted concentrations to those measured, it was shown that concentrations of aqueous H⁺ and NO₃⁻ ions were better represented by the two-film theory, more closely fitting experimental measurements in trend and in magnitude by a factor of ten, while HNO₂ and NO₂⁻ showed a slightly worse fit using this theory. This is attributed to the assumption in two-film theory of a gas-phase stagnant film which provides additional resistance to the absorption of hydrophilic species, which is absent in the one-film theory, which could be improved with a more accurate value of the Sherwood number for each species.

等离子活化水在许多新兴应用领域显示出巨大的前景；然而，非平衡等离子体和液体之间的相互作用代表了一个复杂的多相过程，难以通过实验进行探测，因此需要开发准确的数值模型。在这项工作中，开发了一个全局计算模型来跟踪使用环境空气中的表面屏障放电处理的水中的含水活性物质的浓度。尽管两层膜理论早已取代了在环境和气溶胶科学等研究领域中对传质建模的其他方法，但等离子体建模研究仍在使用平衡理论和一层膜理论。因此，使用单膜和双膜理论处理穿过气液界面的反应性物质的传输，与结果进行比较以确定哪个最适合 PAW 建模研究。将模型预测的浓度与测得的浓度进行比较，结果表明，H水溶液的浓度⁺和 NO ₃ ^-离子更好地由双膜理论代表，在趋势和幅度上更接近于实验测量值十倍，而 HNO ₂和 NO ₂ ^-使用该理论显示出稍差的拟合。这归因于气相停滞膜的双膜理论中的假设，该假设为亲水性物质的吸收提供了额外的阻力，而单膜理论中没有，这可以通过更准确的值来改进每个物种的舍伍德编号。