水蒸气的存在会影响VOCs在活性炭中的吸附动力学及过程升温，弄清其竞争吸附机制，在保障安全生产、降低生产成本、提高分离效率等方面意义重大。以穿透曲线作为研究突破点，有助于分析VOCs/水蒸气的竞争吸附机制，而实现穿透曲线的普遍化描述是难点也是关键所在。本项目从分子间相互作用出发，拟基于非平衡热力学传质模型，弄清穿透曲线与材料结构参数、分子参数的普遍函数关系。考察活性炭结构（孔尺寸、化学非均一性）、水含量等因素对典型VOCs（甲苯、苯、丙酮等）吸附行为的影响；使用有效接触面积定量表征活性炭结构；关联材料结构参数、分子参数与非平衡热力学传质模型，实现传质模型的普遍化描述；在此基础上，将非平衡热力学传质模型与吸附穿透曲线对接，建立普遍化的穿透曲线，预测VOCs/水蒸气吸附过程的传质、传热速率，以期建立完整的吸附预测体系、指导高效活性炭材料制备。

The adsorption kinetics and temperature rise of VOCs adsorbed in activated carbon is greatly affected by water vapor. Therefore, understanding the competitive adsorption mechanism of VOCs and water vapor is important for ensuring safe production, reducing production costs, and improving separation efficiency. The breakthrough curve helps to understand its competitive adsorption mechanism, and achieving a universal description is a difficult and critical point. Based on the non-equilibrium thermodynamics mass transfer model, this project innovatively starts from the intermolecular interaction to realize the universal description for the material structure parameters, the molecular parameters and the breakthrough curve of VOCs and water vapor. Critical factors such as activated carbon structure, VOCs polarity and water content will be investigated. The effect of activated carbon structure on mass transfer rate will be quantitatively described using the concept of effective contact area. Structural parameters and molecular parameters will be incorporated to related to the non-equilibrium thermodynamic mass transfer model, which promotes the universal description of the adsorption breakthrough curve. As a predictive model, it aims to achieve a quantitative description of mass and heat transfer rates for water vapor and VOCs, to guide the preparation of activated carbons, and to establish a complete adsorption prediction system.