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 C∇, 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 C∇ and ε as well as their approximate values Ci and εi within max.rapprochement:ΔC=min{Ci-C∇} and Δε=min{ε-εi} when Ci→C∇ and εi→ε. 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 ∇,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 ∇和ε以及它们的近似值C i和ε我max.rapprochement内:ΔC=分钟{C我-C ∇ }和Δε=分钟{ε-ε我}当C i → C∇和ε我→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。