非水介质染色中活性染料分子扩散动力学及与纤维表面特征构效关系的研究

非水介质染色关键技术已成为当今纺织印染行业的研究热点。由于活性染料在非水介质染色中对棉纤维吸附特别快，纤维表面的染料需要较强的机械力解吸至染液中，重新在纤维上分配，才能获得较好的匀染性，使得该技术对染色设备具有较强的依赖，限制了该技术的工业化推广和应用。本项目拟运用分子扩散动力学研究活性染料在不同润湿性纤维表面的吸附速率及分子排列，构筑染料在纤维表面的扩散边界层和固-液交换区。研究非水介质、纤维、染料、水分子间的超分子作用对染料聚集、染料在非水介质-水-纤维三相径向分布函数的影响规律。运用Navier-Stokes方程模拟活性染料在非水介质扩散中的界面流动，建立活性染料在非水介质染色中的扩散孔道模型，获得有效调控活性染料对棉纤维染色均匀性的关键因素，建立全面评价非水介质染色扩散动力学的新方法。本项目的完成将为非水介质染色的产业化提供理论依据和技术参数，为纺织染色行业走向可持续发展做出贡献。

Currently, non-aqueous medium dyeing technology has become a research hotspot in the textile dyeing industry. In industrial production, the adsorption of reactive dyes to cotton fibers is especially rapid. Moreover, to achieve a superior dyeing level, reactive dyes adsorbed on the surface of fibers require a strong mechanical force to be desorbed into the dye liquor and redistributed within the fiber, which makes it strongly dependent on the dyeing machine and limits the industrial application of non-aqueous medium dyeing technology. In this project, molecular diffusion dynamics will be employed to investigate the adsorption and molecular arrangement of reactive dyes on the surfaces of different wetting fibers. The diffusion boundary layer and solid–liquid exchange zone of reactive dyes on the surface areas of fibers will be reconstructed. The effect of supermolecular interactions among non-aqueous media, fibers, dyes, and water molecules on the aggregation of dyes and the radial distribution function of dyes in the non-aqueous, water, and fiber phases will also be investigated. In addition, the Navier–Stokes equation will be used to simulate the interfacial flow of reactive dyes during non-aqueous diffusion, on the basis of which a diffusion channel model of reactive dyes in non-aqueous dyeing systems will be established. Thus, some key factors for effectively regulating the uniformity of reactive dyeing can be obtained and a new method for comprehensively evaluating the diffusion kinetics of reactive dyes in non-aqueous dyeing systems can be developed. Moreover, this theoretical foundation and technical support will serve to improve the application of non-aqueous medium dyeing in textile manufacturing, and contribute to the sustainable development of textile dyeing industry.