Searcharxiv⌕ Search

arXiv subjects

Prateek K. Jha

Publications and source records attributed to Prateek K. Jha.

3 recordsLinked to original sources

Effects of Porous Media Properties and Flow Environment on Drug Release from Porous Implants

Drug-Filled Porous Implants (DFPIs) are an innovative solution for delivering drugs in a controlled and sustained manner to target sites. To optimize their performance across various physiological conditions, it is essential to understand how fluid flow and porous media properties influence the drug release process. In this work, we numerically investigate a wide range of flow conditions and their effects on drug release from DFPI. The DFPI is modeled as a homogeneous, saturated porous medium, with flow through the porous structure modeled using the Forchheimer-extended Darcy law. Drug diffusion within the DFPI and its transport through the surrounding channel are simulated using a diluted species transport approach. The results reveal the impact of flow conditions and porous media characteristics on the drug release profile of the implant and drug availability within the channel. The variations in drug release behavior are analyzed by modeling the release as an apparent first-order process with a time-dependent rate constant. Notably, the results highlight specific conditions under which the rate constant increases during the later stages of drug release from the DFPI, particularly at high Reynolds numbers, while also ensuring a prolonged operational time period of the implant. These findings suggest the potential for developing intelligent DFPI designs capable of delivering drugs in a manner more attuned to the specific needs of the application.

physics.chem-ph↗

Monte Carlo Simulations of Infection Spread in Indoor Environment

The dynamics of infection spread in populations has received popular attention since the outbreak of Covid-19 and many statistical models have been developed. One of the interesting areas of research is short-time dynamics in confined, indoor environments. We have modeled this using a simple Monte Carlo scheme. Our model is generally applicable for the peer-to-peer transmission case, when the infection spread occurs only between an infected subject and a healthy subject with a certain probability, i.e., airborne and surface transmission is neglected. The probability of infection spread is incorporated using a simple exponential decay with distance between the subjects. Simulations are performed for the cases of (1) constant subject population and (2) variable subject population due to inflow/outflow. We specifically focus on the large fluctuations in the dynamics due to finite number of subjects. Results of our study may be useful to determine social-distancing guidelines in indoor contexts.

physics.soc-ph↗

Trends in pKa Values for polyprotic carboxylic acids

In this work we have reported the pKa values for straight chain (without branches) oligomers of Acrylic acid using CBS-QB3 gas phase energies with solvation free energies from CPCM/HF 6-31G(d) and SMD/B3LYP (2df,p). We have found that the negative log of the first acid dissociation constant decreases with the chain length. Within a chain, the microscopic pKa for the COOH groups present at the end of the chain is maximum and minimum for centrally located COOH groups.

physics.chem-ph↗