Numerical modeling of Taylor dispersion analysis (TDA) was performed using COMSOL Multiphysics to facilitate better and faster optimization of the experimental conditions. Parameters, such as pressure, electric field, diameter, and length of capillary on the TDA conditions, were examined for particles with hydrodynamic radius (Rh) of 2.5–250 Å. The simulations were conducted using 25, 50, and 100 cm length tubes with diameters of 25, 50, and 100 µm. It was shown that particles with larger diffusion coefficients gave more accurate results at higher velocities, and in longer and wider columns; particles with smaller diffusion coefficients gave more accurate results at smaller velocities, and in shorter and thinner columns. Moreover, the effect of electric field on the validity and the applicability of TDA was studied using TDA in conjunction with capillary electrophoresis. Diffusion coefficients were obtained using a pressure and the TDA equation and compared with those obtained with a pressure in combination of an electric field for fluorescein, FD4, FD20, FD70, and FD500. We found that TDA can be used with the presence of moderate electrophoretic migration and electroosmotic flow, when appropriate conditions were met.

中文翻译：

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有电场和无电场泰勒色散分析的数值建模和实验优化

使用 COMSOL Multiphysics 进行泰勒色散分析 (TDA) 的数值建模，以便更好、更快地优化实验条件。检查 TDA 条件下的压力、电场、直径和毛细管长度等参数，检查具有流体动力学半径的颗粒（右H) 2.5–250 Å。使用长度为 25、50 和 100 厘米、直径分别为 25、50 和 100 µm 的管进行模拟。结果表明，具有较大扩散系数的颗粒在较高速度以及较长和较宽的色谱柱中给出了更准确的结果；具有较小扩散系数的颗粒可以在较小的速度以及更短和更细的色谱柱中提供更准确的结果。此外，结合毛细管电泳研究了电场对 TDA 有效性和适用性的影响。使用压力和TDA方程获得扩散系数，并与荧光素、FD4、FD20、FD70和FD500的压力结合电场获得的扩散系数进行比较。我们发现，当满足适当的条件时，TDA 可以在适度的电泳迁移和电渗流的存在下使用。