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Chlorination of bromacil: Kinetics and disinfection by-products
Separation and Purification Technology ( IF 8.1 ) Pub Date : 2018-12-06 , DOI: 10.1016/j.seppur.2018.12.002
Chen-Yan Hu , Yan-Guo Deng , Yi-Li Lin , Yuan-Zhang Hou

Bromacil, a nonselective uracil compound, is applied to field crops, such as citrus and pineapple, to control annual and perennial grass weeds. In this study, the degradation kinetics and effects of influencing factors on the formation of disinfection by-products (DBPs) during bromacil chlorination were investigated. The reaction between chlorine and bromacil followed second-order kinetics, and the degradation kinetic model for bromacil chlorination was established. The rate constants of the reactions between bromacil and HOCl and ClO were calculated as 4.33 (±1.40) × 101 and 3.21 (±0.47) × 102 M−1 s−1, respectively. The presence of Br in water resulted in the formation of HOBr and accelerated the rate of bromacil degradation during chlorination. The rate constant was calculated as 6.34 (±0.09) × 104 M−1 s−1 for the reaction between bromacil and HOBr at 25 °C. The apparent second-order rate constant (kapp) increased with increase in temperature and pH, and the activation energy was calculated as 37.83 kJ/mol using the Arrhenius equation. Because the structure of bromacil comprises bromine atoms, brominated DBPs, including dibromochloromethane (DBCM) and bromodichloromethane (BDCM), formed abundantly during bromacil chlorination. The formation of bromoform (BF), BDCM, and DBCM increased with the reaction time, whereas the formation of chloroform (CF) increased until day 4 and then decreased. The yields of all the detected DBPs increased with the increase in pH from 5 to 8. With increasing bromide concentration, the formation of CF and BDCM gradually decreased, where as that of BF considerably increased, resulting in relatively stable bromine utilization factor in the bromide to chlorine ratio of 0.00–0.10 during bromacil chlorination.



中文翻译:

溴苯嘧啶的氯化:动力学和消毒副产物

Bromacil是一种非选择性尿嘧啶化合物,可用于田间作物,例如柑橘和菠萝,以控制一年生和多年生的草类杂草。在这项研究中,研究了溴代莫西林氯化过程中降解动力学及其影响因素对消毒副产物(DBPs)形成的影响。氯与溴苯甲酰胺之间的反应遵循二级动力学,建立了溴苯甲酰氯的降解动力学模型。除草定和次氯酸和C10之间的反应的速率常数-计算为4.33(±1.40)×10 1和3.21(±0.47)×10 2 中号-1 小号-1分别。BR的存在-水中的HOBr导致HOBr的形成,并加快了氯化过程中溴苯甲酰胺的降解速度。在25℃下,溴苯甲酰胺与HOBr之间的反应速率常数计算为6.34(±0.09)×10 4  M -1  s -1。表观二阶速率常数(k app)随温度和pH值的增加而增加,并且使用Arrhenius方程计算出的活化能为37.83 kJ / mol。因为溴苯甲酰胺的结构包含溴原子,所以溴化苯甲酰氯期间大量形成了溴化DBP,包括二溴氯甲烷(DBCM)和溴二氯甲烷(BDCM)。溴仿(BF),BDCM和DBCM的形成随着反应时间的增加而增加,而氯仿(CF)的形成一直增加到第4天,然后下降。随着pH值从5增加到8,所有检测到的DBP的产量均增加。随着溴化物浓度的增加,CF和BDCM的形成逐渐减少,而随着BF的增加,溴化物中的溴利用率相对稳定。溴苯甲烷氯化过程中氯与氯的比率为0.00–0.10。

更新日期:2018-12-06
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