首页> 外文期刊>Journal of chromatography, A: Including electrophoresis and other separation methods >Modeling the combined effect of temperature and organic modifier content on reversed-phase chromatographic retention - Effectiveness of derived models in isocratic and isothermal mode retention prediction
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Modeling the combined effect of temperature and organic modifier content on reversed-phase chromatographic retention - Effectiveness of derived models in isocratic and isothermal mode retention prediction

机译:模拟温度和有机改性剂含量对反相色谱保留率的综合影响-衍生模型在等度和等温模式保留率预测中的有效性

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Models considering simultaneously mobile phase organic content and column temperature were developed in this study by an extension of different equations describing the influence of temperature on solute retention. This extension was achieved by two methods: a semi-thermodynamic and a direct combination of equations expressed separately the dependence of the retention upon each of these factors. The above approaches gave a great number of expressions for the logarithm of the solute retention factor in terms of both temperature and organic content in the mobile phase, In k(T, phi), determined from the dependence of the standard enthalpy of the retention process on T. From the final expressions of In k(T, phi) we tested only those with the minimum number of adjustable parameters, i.e. those that correspond to a constant standard enthalpy of the retention process. For this test we examined the retention behaviour of a sample of alkylbenzenes in aqueous acetonitrile eluents. These compounds exhibit In k versus 1/T plots with a very small curvature. We found that a new equation for In k(T, phi) based on the adsorption model for retention performs better than all the others. The average percentage prediction error ranges from 0.7 to 1.4%. (c) 2008 Elsevier B.V. All rights reserved.
机译:在本研究中,通过扩展描述温度对溶质保留影响的不同方程式,开发了同时考虑流动相有机物含量和柱温的模型。这种扩展是通过两种方法实现的:半热力学方程和方程组的直接组合分别表示了保留率对这些因素中每个因素的依赖性。上述方法根据流动相中的温度和有机物含量Ink(T,phi)给出了许多关于溶质保留因子对数的表达式,根据保留过程的标准焓的依赖性确定根据In k(T,phi)的最终表达式,我们仅测试了可调参数数量最少的参数,即与保留过程的恒定标准焓相对应的参数。对于该测试,我们检查了烷基苯样品在乙腈水溶液中的保留行为。这些化合物具有非常小的曲率的Ink与1 / T图。我们发现,基于保持力吸附模型的In k(T,phi)新方程的性能优于所有其他方程。平均百分比预测误差范围为0.7到1.4%。 (c)2008 Elsevier B.V.保留所有权利。

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