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Application of numerical simulation to solid phase-microextraction for decreasing of extraction time of pyrene and phthalate esters on solid coatings
, Article Journal of Chromatography A ; Volume 1673 , 2022 ; 00219673 (ISSN) ; Jamshidian, M ; Habibi, S ; Sharif University of Technology
Elsevier B.V
2022
Abstract
Reynolds-Averaged Navier-Stokes (RANS) approach with the k-ε closure model is employed for the first time to simulate direct Solid-Phase Micro-Extraction (SPME) computationally. Simulations are performed by using COMSOL Multiphysics in order to examine methods to decrease the extraction time. Experiments are also conducted to support data obtained from the numerical framework. Di-n-Butyl Phthalate (DNBP) and etched steel wire are chosen as the analyte and the adsorbent, respectively. Stirring rate, fiber's location, stirrer magnet's size, and the method of sample rotation are examined to decrease the extraction time. In addition, the effects of adding a baffle to the vial and implementing a...