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Linear Solyation Energy Relationship of the Limiting Partition Coefficient of Organic Solutes between Water and Activated Carbon

机译:水和活性炭之间有机溶质的极限分配系数的线性溶解能关系

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A linear solvation energy relationship has been found for 353 values of the limiting adsorption coefficients of diverse chemicals: log K= -0.37 + 0.0341 V_i -1.07β + D + 0.65P with R = 0.951, s = 0.51, n = 353, and F = 818.0, where V_i is the intrinsic molar volume; β is a measure of the hydrogen bond acceptor strength of the solute; D is an index parameter for the research group which includes the effects of the different types of carbon used, the temperature, and the length of time allowed for the adsorption equilibrium to be established; and P is an index parameter for the flatness of the molecule. P is defined to be unity if there is an aromatic system in the molecule or if there is a double bond or series of conjugated double bonds with no more that one non-hydrogen atom beyond the double bond and zero otherwise. A slightly better fit is obtained if the two-thirds power of V_i is used as a measure of the surface area in place of the volume term: log K= -1.75 + 0.227 V~(2/3) - 1.10β + D + 0.60P with R = 0.954, s = 0.49, n = 353, and F = 895.39. This is the first quantitative measure of the effect of the shape of the molecule on its tendency be adsorbed on activated carbon.
机译:对于353种不同化学物质的极限吸附系数值,发现了线性溶剂化能量关系:log K = -0.37 + 0.0341 V_i-1.07β+ D + 0.65P,R = 0.951,s = 0.51,n = 353,和F = 818.0,其中V_i是固有摩尔体积; β是溶质的氢键受体强度的量度; D是研究小组的指标参数,其中包括所用碳的不同类型,温度和建立吸附平衡所需的时间长度的影响; P是分子平坦度的指标参数。如果分子中有一个芳香族体系,或者存在一个双键或一系列共轭双键,且双键之外不超过一个非氢原子,则P定义为1。如果使用V_i的三分之二的幂代替表面积来衡量表面积,则拟合度会更好:log K = -1.75 + 0.227 V〜(2/3)-1.10β+ D + R = 0.954,s = 0.49,n = 353,F = 895.39时为0.60P。这是对分子形状对其在活性炭上吸附趋势的影响进行的第一个定量测量。

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