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A mathematical analysis of deviations from linearity of Beer's law
Chemical Physics Letters ( IF 2.8 ) Pub Date : 2018-06-28 , DOI: 10.1016/j.cplett.2018.06.056
Alexander Yu. Tolbin , Victor E. Pushkarev , Larisa G. Tomilova

In this paper, we propose new approach to accurate calculation of the molar attenuation coefficient ε and the threshold concentration CC, exceeding of which it results in a deviation from Beer's law. The method is based on the asymptotic approximation of the equality of integrals associated with the true values of CC and εε as well as their approximate values CiCi and εiεi within max.rapprochement:ΔC=min{Ci-C}ΔC=minCi-C and Δε=min{ε-εi}Δε=minε-εi when Ci→CCiC and εi→εεiε. After reaching the acceptable accuracy, the infinite iterative cycle is interrupted that allows to significantly saving the computing resources.



中文翻译:

比尔定律线性偏差的数学分析

在本文中,我们提出了新的方法来摩尔衰减系数的精确计算ε和所述阈值浓度Ç C,超过此值将导致偏离比尔定律。该方法是基于与真实值相关积分的平等的渐近近似Ç Cεε以及它们的近似值C iC一世εε一世max.rapprochement内:ΔC=分钟{C-C }ΔC=C一世--CΔε=分钟{ε-ε}Δε=ε--ε一世C iC∇C一世Cε→εε一世ε。在达到可接受的精度后,无限迭代周期将被中断,从而大大节省了计算资源。

更新日期:2018-06-30
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