Akademik Veri Yönetim Sistemi
KOKU H. (Yürütücü)
TÜBİTAK Projesi, 2018 - 2021
Liquid chromatography is a separation and analysis technique widely used in pharmaceutical and biotechnological production. Velocity distribution in chromatography columns is affected by the non-homogeneous natüre of the flow profile, as well as molecular diffusion and other effects. In consequence, peaks broaden and separation performance suffers, especially due to intraparticle diffusion in traditional porous particles. New materials have been developed to develop a compromise between capacity and performance. For example Core-Shell particles with a porous shell and impermeable core find a good balance between capacity and performance.
An important source of the performance of such new materials is the finer details of their geometry, and thus accelerating efforts to understand the behavior of materials by directly reflecting the micro-structure, especially with the help of improvements in computing software / hardware and imaging techniques. However, the direct error in imaging and the very high and expensive software / hardware requirements suggest that approximate methods can be searched between simulated macroscopic models in which the micro-structure is completely out of the calculation. In this project proposal there is a suggestion of this kind: In the case study, core-shell type particles will be simulated as simple geometric shapes like spheres (as small globes surrounding a central sphere), and flow and mass distribution simulations will be performed on the clusters composed of these particles. Because these simplified geometries can be represented by few parameters, they will reduce memory requirements in particular. These simulations constitute the first work package of the project.
The results obtained from such a representative geometry will be tested in two ways. The first is to compare the tray height corresponding to the dispersion constant with the simulation results in the literature. The second is the main purpose of the second work package of the project: electron microscopy to obtain two-dimensional and high-resolution images of the core-shell particles and how closely the idea of the geometric geometry used in the simulations is closer to reality.
Finally, studies will be undertaken to understand whether the method used can be applied to different geometries, and to understand the potential for use in virtual design of new materials in general. The totally different, monolithic virtual constructions will be created in computer environment with simple algorithms, then flow and mass distribution will be examined in these virtual geometries.
Modeling techniques in liquid chromatography have been used to evaluate the performance of more current materials. This approach will be an important step towards model-supported design of chromatographic materials, especially if it is a successful model in core-shell particles and generally feasible.