UDS溶剂组分设计及其脱除黏胶纤维废气中CS2效果

为满足黏胶纤维废气脱硫净化需求，设计开发复配型溶剂并进行优化。基于密度泛函理论，利用AIM拓扑分析和RDG分析研究活性组分与CS₂的相互作用机理，通过分子模拟计算不同活性组分与CS₂分子间相互作用，根据黏胶纤维废气组成特点，设计优化UDS溶剂，进一步在常压实验装置上考察其脱除黏胶纤维废气中CS₂和H₂S效果。分子模拟计算结果表明，哌嗪（PZ）、环丁砜（SUL）、聚乙二醇二甲醚（NHD）、二甲基亚砜（DMSO）4种活性组分与CS₂分子间均为弱相互作用，相互作用的强度顺序为PZ > SUL > NHD > DMSO。选取与CS₂具有较强结合能的活性组分作为提高CS₂溶解性能的溶剂组分。脱硫实验结果表明，在常压、吸收温度50℃、气液比500条件下，优化的UDS-F溶剂可将模拟黏胶纤维废气中CS₂含量由400mg/m³脱除至79mg/m³，脱除率较原UDS-A溶剂高出19个百分点，较甲基二乙醇胺高出65个百分点，表现出优异的脱除性能。同时，其再生贫液在循环使用过程中依旧能够保持较好的H₂S和CS₂净化效果。对其抗发泡性能和抗腐蚀性能进行考察，UDS-F溶剂表现出良好的抗发泡性能和抗腐蚀性能。

Compositional design of UDS and its application on removal of CS2 from viscose fiber waste gas

To meet the desulfurization requirement for the waste gas from viscose fiber production, the desulfurization solvent UDS was developed. Based on density functional theory, the interaction mechanism of the active components and CS₂ was studied by using AIM (atoms-in-molecules)topological analysis and RDG (reduced density gradient)analysis. The energy for the interactions between active components and CS₂ was calculated by molecular simulation. Based on the composition of viscose fiber waste gas, the UDS solvent was designed and optimized. The efficiency for removing CS₂ and H₂S from viscose fiber waste gas was studied in an atmospheric pressure experimental device. Molecular simulation results showed that the interactions between four active components and CS₂ were weak intermolecular forces, and the intensity ranked in the order of:PZ > SUL > NHD > DMSO. The compounds that have strong interaction with CS₂ can be considered as the promising solvent components to improve the solubility of CS₂ in UDS-F. From the experimental results of the atmospheric absorption, the content of CS₂ was reduced from 400mg/m³ in raw material to 79mg/m³ in the purified gas under the operation conditions of UDS-F mass fraction of 50%, V_g/V_l of 500 and temperature of 50℃. As a result, the CS₂ removal efficiency of UDS-F was found approximately 19 percentage higher than that of UDS-A, and approximately 65 percentage higher than that of MDEA, indicating that UDS-F had excellent performance for the removal of CS₂ from viscose fiber waste gas. After regeneration, the lean UDS-F solution could still maintain a good H₂S and CS₂ removal efficiency. The study of foaming resistance and corrosion resistance showed that UDS-F solvent had good anti-foaming performance and anti-corrosion performance.