In this study a mechanistic model for chromatography was taken and the solution to its Laplace transfer function was obtained using the Fast Fourier Transform method. Using previously developed correlations for modelling diffusion, both in solution and intraparticle, and estimating the mass transfer coefficient, the effect of temperature in gel fittration liquid chromatography was investigated. The effect of each individual parameter on the elution curve was systematically explored allowing for reasonable estimates for the different temperature cases. In this case, a system of bovine serum albumin and phenylalanine separated by gel filtration chromatography was simulated to demonstrate how the resolution and the selectivity of the separation will change with physical parameters. Decreasing the particle size and flow rate while increasing the temperature led to higher resolution, which is consistent with experimental literature data.

在这项研究中，建立了色谱的机理模型，并使用快速傅立叶变换法获得了其拉普拉斯传递函数的解。使用先前建立的相关性对溶液和颗粒内的扩散进行建模，并估计传质系数，研究了凝胶拟合液相色谱法中温度的影响。系统地研究了各个参数对洗脱曲线的影响，从而可以对不同的温度情况进行合理的估计。在这种情况下，模拟了通过凝胶过滤色谱法分离牛血清白蛋白和苯丙氨酸的系统，以证明分离的分辨率和选择性将如何随物理参数而变化。