パソコンによる電位差滴定反応のシミュレーション(そのII)

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  • A Simulation of the Potenitiometric Titration Reactions By Using Personalcomputer(Part.II)

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一塩基酸と二塩基酸を一酸塩基で滴定した場合のpH滴定曲線のシミュレーションをさまざまな計算式を用いて行った。シミュレーションに用いた計算式は,反応の各過程で成り立つ物質収支則,電気的中性原理および解離平衡定数式とから導き出した厳密解,近似解および非常に粗い近似解の三種類である。どのような解離平衡指数をもつ酸でも,弱い酸と仮定して得た粗い近似解により,すべての一塩基酸ならびに二つのpK_a値が約3.5以上離れた二塩基酸の滴定曲線を良い精度で再現できた。一方,近似解および厳密解から得られた両結果は,二つのpK_a値が約3.5以下の差をもつ二塩基酸の場合でも大変良く一致していた。

The titration curves of various monobasic and dibasic acids with a monoacid base were calculated numerically from the three type equations. These equations were a precise, an approximate, and a very roughly approximate one, derived from the relationships between the rule of the dissociation equilibrium and the balances of the materials and the ions upon each process of the reaction. When every various strength's acid was considered to be a weak acid, the results of very roughly approximate equations were in good agreement with thats of precise equations in the titration of every monobasic and some dibasic acids, of which the difference between pK_a1 and pK_a2 was larger than c.a. 3.50. On the other hand, close agreement between both the result of a precise and an approximate equation was obtained even in dibasic acids, which the difference between pK_a1 and pK_a2 was smaller than c.a. 3.50.

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