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首页> 外文期刊>Environmental Science & Technology >Chemical transformation of 3-bromo-2,2-bis(bromomethyl)propanol under basic conditions
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Chemical transformation of 3-bromo-2,2-bis(bromomethyl)propanol under basic conditions

机译：碱性条件下3-溴-2,2-双（溴甲基）丙醇的化学转化

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The mechanism of the spontaneous decomposition of 3-bromo-2,2-bis(bromomethyl)propanol (TBNPA) and the kinetics of the reaction of the parent compound and two subsequent products were determined in aqueous solution at temperatures from 30 to 70 degreesC and pH from 7.0 to 9.5. TBNPA is decomposed by a sequence of reactions that form 3,3-bis(bromomethyl)oxetane (BMHMO), 3-bromomethyl-3-hydroxymethyloxetane (BMHMO), and 2,6-dioxaspiro[3.3]-heptane (DOH), releasing one bromide ion at each stage. The pseudo-first-order rate constant of the decomposition of TBNPA increases linearly with the pH. The apparent activation energy of this transformation (98 +/- 2 KJ/mol) was calculated from the change of the effective second-order rate constant with temperature. The pseudoactivation energies of BBMO and BMHMO were estimated to be 109 and 151 KJ/mol, respectively. Good agreement was found between the rate coefficients derived from changes in the organic molecules concentrations and those determined from the changes in the Br- concentrations. TBNPA is the most abundant semivolatile organic pollutant in the aquitard studied, and together with its byproducts they posess an environmental hazard. TBNPA half-life is estimated to be about 100 years. This implies that high concentrations of TBNPA will persist in the aquifer long after the elimination of all its sources.
机译：在30至70℃的温度下，在水溶液中测定3-溴-2,2-双（溴甲基）丙醇（TBNPA）的自发分解机理和母体化合物与两种后续产物反应的动力学。 pH值从7.0到9.5。 TBNPA被一系列形成3,3-双（溴甲基）氧杂环丁烷（BMHMO），3-溴甲基-3-羟甲基氧杂环丁烷（BMHMO）和2,6-二氧杂螺[3.3]-庚烷（DOH）的反应分解每个阶段一个溴离子。 TBNPA分解的拟一级反应速率常数随pH值线性增加。由有效二阶速率常数随温度的变化计算出该转变的表观活化能（98 +/- 2 KJ / mol）。 BBMO和BMHMO的假激活能分别估计为109和151 KJ / mol。在由有机分子浓度变化得出的速率系数与由Br-浓度变化确定的速率系数之间发现了很好的一致性。 TBNPA是所研究的海葵中含量最高的半挥发性有机污染物，与它们的副产物一起对环境构成危害。 TBNPA的半衰期估计约为100年。这意味着在消除所有水源之后很长一段时间内，高浓度的TBNPA将持续存在于含水层中。

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