Our article "Modeling the effect of temperature on solid-phase microextraction of volatile organic compounds from air by polydimethylsiloxane coating using finite element analysis" was published in the leading journal in the field of analytical chemistry, Analytica Chimica Acta (IF = 6.558, Q1 WoS).
The results of this study will significantly simplify the process of developing methods based on solid-phase microextraction. Temperature is one of the most important parameters of the process, the optimization of which for air analysis is quite a complex task. Furthermore, it is now possible to model the extraction process at varying temperatures, which is very important for methods where extraction is done directly on-site over a certain period. The duration of the time-weighted sampling can reach 24 hours, during which the temperature can change quite significantly.
To incorporate temperature into the modeling process, it was necessary to establish dependencies on it for the main parameters of the process (distribution constants of substances between the coating and air, diffusion coefficients of substances in air and coating). The main challenge was to find the best models and achieve a match between the modeling results and experimental data.
We thank the Science Committee of the Ministry of Education and Science of the Republic of Kazakhstan (project AP08052684 "Efficient development of environmental analysis methods based on vapor-phase solid-phase microextraction using computer modeling") and the Ministry of Education and Science (grants for Anel Kapar and Bauyrzhan Bukenov for doctoral studies) for supporting this work. Special thanks to Al-Farabi Kazakh National University for supporting Dina Orazbayeva within the framework of postdoctoral studies.
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