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首页> 外文期刊>Journal of chromatography, A: Including electrophoresis and other separation methods >Theory of the probability of total resolution in chromatograms with systematic variation of average peak spacing and peak width
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Theory of the probability of total resolution in chromatograms with systematic variation of average peak spacing and peak width

机译：具有系统变化的色谱图中总分辨率的概率理论，平均峰间距和峰宽度

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An equation is proposed for the probability that all mixture constituents are separated, when the density (i.e., average number of eluting constituents per time) and width of single-component peaks (SCPs) vary systematically. The probability Pr that m SCPs are separated is modeled as the product of the m - 1 probabilities that adjacent pairs of SCPs are separated. Pr is then expressed as the geometric mean of the probability product raised to the power of m - 1. This geometric mean is approximated by an arithmetic mean equaling the probability that adjacent SCPs are separated, as calculated from previously developed statistical overlap theory (SOT) for variable SCP density and width. The theory is tested using previously reported and current in-house simulations of isocratic chromatograms of SCPs with random differences in standard chemical potential. In such chromatograms, more SCPs elute at short times than long times, and their widths are less at short times than long times. The average difference between 179 previously reported and currently predicted values of 100 x Pr is about 0.6, when 100 x Pr > 5. The theory requires numerical computation of one integral but can be approximated by an analytic equation for SOT probabilities close to one. For SCPs having retention times exceeding twice the void time, this equation simplifies to a previous SOT expression, with the gradient peak capacity replaced by the isocratic peak capacity. The versatility of the Pr theory is tested using three other models of chromatograms, in which the density and width of SCPs vary. The Pr predictions agree with simulation for all three models. (C) 2018 Elsevier B.V. All rights reserved.
机译：的方程拟为概率，所有混合物组分是分开的，当密度（即，每时间洗脱组分的平均数量）和单组分峰（SCP的）宽度不同系统。的概率Pr是m的SCP被分离被建模为第m的产品 - 每对毗邻的SCP的分离1个概率。则Pr表示为升高到m的功率的概率乘积的几何平均值 - 该几何平均值是由算术平均值等于相邻的SCP被分离的概率，如从先前开发的统计重叠理论计算（SOT）近似1.用于可变SCP密度和宽度。理论测试使用先前报道的和当前的内部与标准化学势随机差异的SCP等度色谱的模拟。在这样的色谱图，多个SCP洗脱在短时间内比长倍，并且它们的宽度是小于在短时间内比长倍。 179个先前报道，目前预测的100×Pr中值之间的平均差值为约0.6，当100×镨> 5.理论需要一个积分的数值计算，但可以通过对SOT概率接近一个的解析方程式来近似。对于具有的保留时间超过两倍的死时间的SCP，该方程可简化为先前表达SOT，与梯度峰值容量替换为等度峰值容量。镨理论的通用性是使用色谱的其他三种模式，其中，所述密度和SCP的的宽度而变化的测试。公关预测同意模拟所有三种型号。 （c）2018年elestvier b.v.保留所有权利。

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