Abstract The rubber peptizer 2,2′-dibenzoylaminodiphenyl disulfide is typically synthesized from C7H5NS, NaOH, H2SO4, and H2O2, but these reactants were replaced with C6H4ClNO2, C2H6O, Na2S, S, and N2H4·H2O, and these raw materials effectively improved the synthesis yield, reduced the number of synthetic steps, and made the synthetic process greener. Although the catalyst is difficult to recover, it effectively avoids using ethanol as a volatile organic solvent. The Aspen Plus method was used to simulate the key processes in the synthesis in the experimental conditions as the boundary conditions. The simulation results show that the feed ratio of C7H5NS, H2O2, and C7H5ClO directly determines the yield of the reaction, and the equivalents of NaOH, H2SO4, and Na2CO3 indirectly affect the yield of the reaction by changing the reaction environment and controlling the formation of byproducts. The temperature of the ring-opening reaction and the acylation reaction should be maintained within 110–120°C to maximize the yield. The oxidation reaction temperature also directly affects the reaction yield and should be kept below 40°C. The simulation results are consistent with practical industrial production conditions. Based on the developed green synthesis process and the optimal process parameters obtained from the simulation, the industrial-scale production of 10,000 tons of 2,2′-di benzoyl amino diphenyl disulfide was carried out. Compared with that of o-nitrochlorobenzene, the yield of 2,2′-dibenzoylaminodiphenyl disulfide increased from approximately 72% to more than 90%. Using this method instead of the original synthesis method avoids the use of o-nitrochlorobenzene, which is neurotoxic; Raney nickel as the metal catalyst, which is difficult to recycle with existing environmental protection technologies; and ethanol as the organic solvent, which is associated with environmental problems. The amine tail gas that is easily generated in the original synthesis method is not generated in this system, and the drying step is eliminated.

中文翻译：

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基于 Aspen Plus 模拟的 2,2'-二苯甲酰氨基二苯基二硫化物的合成和绿色合成工艺的开发

摘要 橡胶胶溶剂 2,2'-二苯甲酰氨基二苯基二硫化物通常由 C7H5NS、NaOH、H2SO4 和 H2O2 合成，但这些反应物被 C6H4ClNO2、C2H6O、Na2S、S 和 N2H4·H2O 替代，这些原料有效地提高了合成收率，减少合成步骤，使合成过程更环保。该催化剂虽然难以回收，但有效避免了使用乙醇作为挥发性有机溶剂。以实验条件为边界条件，采用 Aspen Plus 方法模拟合成中的关键过程。模拟结果表明，C7H5NS、H2O2、C7H5ClO的进料比直接决定了反应的收率，NaOH、H2SO4、Na2CO3通过改变反应环境和控制副产物的形成间接影响反应收率。开环反应和酰化反应的温度应保持在 110-120°C 以最大化产率。氧化反应温度也直接影响反应收率，应保持在40℃以下。模拟结果与实际工业生产条件一致。基于开发的绿色合成工艺和模拟得到的最佳工艺参数，实现了1万吨2,2'-二苯甲酰氨基二苯二硫醚的工业化生产。与邻硝基氯苯相比，2,2'-二苯甲酰氨基二苯基二硫化物的产率从约72%提高到90%以上。用这种方法代替原来的合成方法，避免了使用具有神经毒性的邻硝基氯苯；雷尼镍为金属催化剂，现有环保技术难以回收；乙醇作为有机溶剂，与环境问题有关。本系统不产生原合成方法中易产生的胺尾气，省去干燥步骤。