CAJ | 학술논문

目前，水体常见有机污染物的标准热力学数据不全，使得水体中有机污染物平衡常数无法获取，造成有机污染物降解的化学反应方程可行性无法确定。以探求水体中生成吉布斯自由能Δf Gθ未知的常见有机污染物为目标，采用改进的 Franklin 法对已知生成吉布斯自由能的有机物进行估算并比对，结果显示，相对误差在10%左右，因此将改进的 Franklin 方法应用于Δf Gθ未知的有机污染物，根据基团贡献计算其Δf Gθ，进而获取平衡常数，并对水体中有机污染物降解过程中化学反应方程的可行性进行判定，为水体中有机污染物的降解机理提供参考。
목전，수체상견유궤오염물적표준열역학수거불전，사득수체중유궤오염물평형상수무법획취，조성유궤오염물강해적화학반응방정가행성무법학정。이탐구수체중생성길포사자유능Δf Gθ미지적상견유궤오염물위목표，채용개진적 Franklin 법대이지생성길포사자유능적유궤물진행고산병비대，결과현시，상대오차재10%좌우，인차장개진적 Franklin 방법응용우Δf Gθ미지적유궤오염물，근거기단공헌계산기Δf Gθ，진이획취평형상수，병대수체중유궤오염물강해과정중화학반응방정적가행성진행판정，위수체중유궤오염물적강해궤리제공삼고。
Because of the lack of thermodynamics constant of organic pollutants in water,making obtain e-quilibrium constant and determine whether the equation of removing the organic pollutants in water is fea-sible becoming difficult. Aiming at obtaining Gibbs free energy of organic pollutants in water,using im-proved Franklin method to calculate Δf Gθ,then comparing to the value that found in handbook of chemis-try. The result showed that the relative error is about 10% . Apply improved Franklin method to calculateΔf Gθ of organic pollutants that can not consult in handbook of chemistry,using the result to judge the fea-sibility of an equation and obtain equilibrium constant,then provide some reference for water treatment test.