首页|脱硫石膏转化α-半水石膏的特征及机理:实验与模拟

脱硫石膏转化α-半水石膏的特征及机理:实验与模拟

扫码查看
脱硫石膏的高效利用可以有效缓解一系列环境问题,变废为宝。本文利用二水石膏在含有微量无水硫酸钠的乙二醇水溶液中制备α-半水石膏,探究温度(94~98℃)、乙二醇体积分数(25%~35%)、硫酸钠浓度(0。1~0。3mol/L)对二水石膏向α-半水石膏脱水转化过程的α-半水石膏摩尔分数和动力学参数变化。研究发现,在乙二醇水溶液中,二水石膏向α-半水石膏脱水转化过程符合分散动力学模型。随着温度和乙二醇浓度的增加,动力学参数α基本保持不变,而参数β显著增加,导致活化熵∆S*增大,进而导致能垒Ea降低,促进了二水石膏向α-半水石膏脱水转化。微量无水硫酸钠的添加,显著缩短了α-半水石膏的成核诱导时间。通过分子动力学模拟,增加硫酸钠的浓度,Na+与SO42-的配位数增加,扩散系数绝对差值∆D降低,从而导致配位能力增加,解耦能力降低。本研究对高效利用脱硫石膏、掌握其向α-半水石膏的转化特征具有重要意义。
Characteristics and mechanism of desulfurization gypsum to α-hemihydrate gypsum:Experiments and simulations
The efficient utilization of desulfurized gypsum can effectively alleviate a series of environmental problems and turn waste into treasure.This paper used dihydrate gypsum to prepare α-hemihydrate gypsum in ethylene glycol aqueous solution containing trace anhydrous sodium sulfate,and explored the effects of temperature(94-98℃),ethylene glycol volume fraction(25%—35%),sodium sulfate concentration(0.1-0.3mol/L)on the mole fraction of α-hemihydrate gypsum and kinetic parameters in the dehydration conversion process from dihydrate gypsum to α-hemihydrate gypsum.The results showed that in ethylene glycol aqueous solution,the dehydration conversion process of dihydrate gypsum to α-hemihydrate gypsum conformed to the dispersion kinetic model.With the increase of temperature and ethylene glycol concentration,the kinetic parameter α remained basically unchanged,while the parameter β increased significantly,leading to an increase in the activation entropy(∆S*),which in turn led to a decrease in the energy barrier(Ea)and promoted the dehydration of dihydrate gypsum to α-hemihydrate gypsum.The addition of a small amount of anhydrous sodium sulfate significantly shortened the nucleation induction time of α-hemihydrate gypsum.Through molecular dynamics simulation,with increasing the concentration of sodium sulfate,the coordination number of Na+and SO42-increased,and the absolute difference of diffusion coefficient ∆D decreased,resulting in the increase of coordination ability and the decrease of decoupling ability.This study was of great significance for efficient utilization of desulfurized gypsum and mastering its conversion characteristics to α-hemihydrate gypsum.

dihydrate gypsumα-hemihydrate gypsumethylene glycolcrystallizationkinetic modelmolecular simulation

怀立业、仲兆平、杨宇轩

展开 >

东南大学能源与环境学院,江苏 南京 210096

二水石膏 α-半水石膏 乙二醇 结晶 动力学模型 分子模拟

清洁高效燃煤发电与污染控制国家重点实验室开放基金

D20227K076

2024

化工进展
中国化工学会,化学工业出版社

化工进展

CSTPCD北大核心
影响因子:1.062
ISSN:1000-6613
年,卷(期):2024.43(8)