摘要
Based on the kinetic equations and equilibrium constants,some mathematic models were developed for calculating peracetic acid(PAA)concentration,equilibrium conversion rate of hydrogen peroxide,etc.The effects of several parameters on PAA synthesis were investigated by experimentation and modeling.The equilibrium constants determined from the forward and reverse rate constants at 293,303,313 and 323 K were 2.91,2.81,2.72 and 2.63,respectively.The models could predict the values of equilibrium concentration of PAA with average relative deviation of less than 10%.Both of the experimental and model-calculated results demonstrated that temperature and catalyst loading were the most important factors affecting the rate of PAA synthesis,but high temperature led to the decrease of equilibrium concentration of PAA.According to the model,the reaction could achieve equilibrium within 24 h when operated at 303 K with 1%～1.5%(ω)sulfuric acid as catalyst.Additionally,when using anhydrous acetic acid and 30%hydrogen peroxide to prepare PAA,the volumetric ratio of the two solutions should be in the range of 1.2～1.5 in order to obtain the highest equilibrium concentration of PAA.This study can serve as a step towards the further optimization of PAA synthesis and some other related investigations.
Based on the kinetic equations and equilibrium constants, some mathematic models were developed for calculating peracetic acid （PAA） concentration, equilibrium conversion rate of hydrogen peroxide, etc. The effects of several parameters on PAA synthesis were investigated by experimentation and modeling. The equilibrium constants determined from the forward and reverse rate constants at 293,303, 313 and 323 K were 2.91, 2.81, 2.72 and 2.63, respectively. The models could predict the values of equilibrium concentration of PAA with average relative deviation of less than 10%. Both of the experimental and model-calculated results demonstrated that temperature and catalyst loading were the most important factors affecting the rate of PAA synthesis, but high temperature led to the decrease of equilibrium concentration of PAA. According to the model, the reaction could achieve equilibrium within 24 h when operated at 303 K with 1%-1.5%（ω） sulfuric acid as catalyst. Additionally, when using anhydrous acetic acid and 30% hydrogen peroxide to prepare PAA, the volumetric ratio of the two solutions should be in the range of 1.2-1.5 in order to obtain the highest equilibrium concentration of PAA. This study can serve as a step towards the further optimization of PAA synthesis and some other related investigations.
出处
《过程工程学报》
EI
CAS
CSCD
北大核心
2008年第1期35-41,共7页
The Chinese Journal of Process Engineering
基金
the Shell Global Solutions International B.V.(No.0506HL04)
关键词
过酸
乙酸
过氧化氢
建模
平衡常数
制备
peracetic acid
hydrogen peroxide
equilibrium constant
modeling
