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根据蒸压养护对固硫灰渣中水化过程和水化产物的影响研究,借助化学计算手段对加入SO_4~(2-)的托贝莫来石体系进行结构优化和能量计算,并探讨了蒸压石膏(硫酸盐)在CaO-SiO_2-Al_2O_3-CaSO_4-H_2O五元体系中的存在形态及对五元体系性能的影响。结果表明:蒸压养护后,固硫灰渣中每个托贝莫来石晶胞可进入4个SO_4~(2-),晶胞参数发生变化,结构经过优化后达到稳定;SO_4~(2-)进入晶胞前后的体系能量差ΔE=-1619.87kcal/mol,有利于托贝莫来石生成。试验结果为蒸压养护下石膏促使CSH(B)转换为托贝莫来石的研究提供了参考。
According to the research on the influence of autoclaved curing on the hydration process and hydration products in sulfur-fixing ash, the structure optimization and energy calculation of the titanomagnet system added SO_4 ~ (2-) by means of chemical calculation were discussed. Presence of Autoclaved Gypsum (Sulfate) in CaO-SiO_2-Al_2O_3-CaSO_4-H_2O Five-component System and Its Effect on Five-component System. The results show that, after autoclaved curing, each tetomorobalite unit in the sulfur-fixing ash slag can enter into 4 SO 4 2-, the unit cell parameters are changed, the structure is optimized and stabilized; SO 4 2- -) into the cell before and after the system energy difference ΔE = -1619.87kcal / mol, is conducive to the formation of tobramycin. The experimental results provide a reference for the study on the conversion of CSH (B) to tobobramine by gypsum under autoclaved condition.