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Islamov A.I., Nabiullina K.R. Modeling of thermoconvection in a microtube under point heating: computational grid preparation and choice of method. Multiphase Systems. 19 (2024) 2. 64–72 (in Russian).
2024. Vol. 19. Issue 2, Pp. 64–72
URL: http://mfs.uimech.org/mfs2024.2.010
DOI: 10.21662/mfs2024.2.010
Modeling of thermoconvection in a microtube under point heating: computational grid preparation and choice of method
A.I. Islamov, K.R. Nabiullina
Ufa University of Science and Technology, Ufa, Russia

Abstract

This paper presents the results of the preparatory stage of modeling the process of thermal convection in microtubes. The finite-volume mesh for a cone-shaped microtube for use within the OpenFOAM software package has been constructed. The obtained mesh was analyzed and tested. An important stage of this work is the analysis of built-in solvers from the OpenFOAM software package, as well as the selection of the optimal solver for solving this particular problem. The advantages and disadvantages of two standard solvers — buoyantBoussinesqPimpleFoam and buoyantPimpleFoam - are considered. It is shown that buoyantBoussinesqPimpleFoam is sufficient for the considered problem, provided that the program is executed using computations based on OpenMPI libraries, which allows to significantly reduce the time of computational experiments. Thus, according to the results of the conducted research, a three-dimensional model of the microtube was prepared, its testing was carried out and the built-in solver from the OpenFOAM software package was selected. The use of the obtained results can have a significant impact on further research in the field of temperature convection in microtubes, and consequently in the processes of optimization of PCR.

Keywords

PCR,
polymerase chain reaction,
OpenFOAM,
OpenMPI,
thermal convection,
microfluidics

Article outline

Modern developments in thermoconvection represent a promising approach to accelerating the PCR process. This method is based on active stirring of the reaction mixture, which provides more uniform temperature distribution and improves contacts between reagents. This significantly reduces the heating and cooling time of samples, which is critical for the denaturation, annelination and elongation steps. The use of thermoconvection systems can potentially reduce PCR time to 5-10 minutes, which opens new horizons for the use of this technology in clinical and research practice.

The main objective of this study was to construct a finite-volume mesh for modeling viscous fluid dynamics in microtubes and to select an appropriate modeling tool. To achieve this goal, the following tasks were set: to build a finite-volume model of a microtube to describe thermal convection using OpenFoam software; to analyze the mathematical model; to perform a comparative analysis of two built-in solvers: buoyantBoussinesqPimpleFoam and buoyantPimpleFoam; to run the solver for the obtained mesh; to evaluate the convergence of the built model and its applicability in the studied range of parameters.

According to the results of the analysis of the used mathematical model, the following was revealed: convection is present and the obtained model can be considered adequate, as well as in this model the laminar mode of fluid motion is observed. According to the results of construction and analysis of the grid model, the results were obtained, based on which we can conclude that the topology of the model guarantees the correctness of the structure and boundary conditions, therefore the model can be considered adequate and applicable for use in further studies.

An important stage of this work is the analysis of built-in solvers from the OpenFoam software package, as well as the selection of the optimal solver for solving this particular problem. The advantages and disadvantages of two standard solvers, buoyantBoussinesqPimpleFoam and buoyantPimpleFoam, are considered in this paper. The buoyantBoussinesqPimpleFoam is selected as the optimal solver. The optimal choice of the buoyantBoussinesqPimpleFoam solver is based on its ability to account not only for convective fluxes but also for temperature gradients, which is particularly important for processes involving thermal changes in the reaction mixture. This solver uses the Boussinesq approach, providing a more accurate modeling of convective processes in viscous fluids and allowing high convergence rates.

Thus, this article presents the results of the preparatory stage of work in the study of the promising field of thermoconvection in the context of accelerating the polymerase chain reaction (PCR) process. The use of active stirring of the reaction mixture allows to significantly reduce the time of heating and cooling of samples, which opens new opportunities for the application of this technology in clinical and scientific spheres. The results of this work open new perspectives for the application of thermoconvection in the acceleration of reaction processes and emphasize the importance of choosing the appropriate modeling tool to achieve accuracy and efficiency of research in this field.

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