摘要
阐述了双核酞菁钴磺酸盐(PDS)脱硫催化剂的抗CN^-中毒性能。并根据红外、电子顺磁共振和原子吸收等光谱测定及量子化学理论计算(EHMO)的结果,在分子-电子水平上提出了PDS自解CN-中毒的双中心机理。
PDS has the unique property in catalytic desulfurization and the resistance ability against CN- poisoning. The experimental results show that the accumulative total of resistance to CN- poisoning can exceed 0.313kg/m3. Based on the results of IR, EPR and absorption spectrum determination as well as the theoretical culculation by quantum chemistry (EHMO method), a double-center mechanism for the detoxication of CN- by PDS is proposed. When the main catalytic center, coordinated center Co(i), of PDS is coordinated with toxic CN-, the H-C( 4) bond is homolyzed, then the polysulfur chain is formed on the C( 4 ) site, this polysulfur chain can transform CN- into SCN-, so that the main catalytic center is recovered.
基金
国家自然科学基金
