This paper develops a mixed Finite Element Method (mFEM) based on both classical rectangular elements (with equal nodal points for all degrees of freedom) and Taylor-hood elements to solve Poisson-Nernst-Planck (PNP) ...This paper develops a mixed Finite Element Method (mFEM) based on both classical rectangular elements (with equal nodal points for all degrees of freedom) and Taylor-hood elements to solve Poisson-Nernst-Planck (PNP) equations with steric effects. The Nernst-Planck (NP) equation for ion fluxes is modified to incorporate finite-size effects in terms of hard-sphere repulsion. The resultant modified NP and Poisson equation representing electrostatic potential is then coupled to form a system of the equation that describes a realistic transport phenomenon in an ion channel. Consequently, we apply mFEM based on both Taylor-hood and classical rectangular elements to discretize the 2D steady system of equations with iterative linearization for the nonlinear components. The numerical scheme is first validated using a 2D analytical solution for PNP equations, the steric components varied and the effects on concentration analyzed and compared against PNP and modified PNP for two monovalent ion species. Classical rectangular elements presented a better comparable approximate solution than Taylor-hood.展开更多
Silver nanoparticle （SNP） is a threat to soil, water and human health. Protection of environment from silver nanoparticles is a major concern. A sewage isolate, Bacillus pumilus treated with SNPs showed similar grow...Silver nanoparticle （SNP） is a threat to soil, water and human health. Protection of environment from silver nanoparticles is a major concern. A sewage isolate, Bacillus pumilus treated with SNPs showed similar growth kinetics to that without nanoparticles. A reduction in the amount of exopolysaccharides was observed after SNPs - B. pumilus culture supernatant interaction. The Fourier transform infrared spectroscopy （FT-IR） peaks for the exopolysaccharides extracted from the bacterial culture supernatant and＇the interacted SNPs were almost similar. The exopolysaccharide capping of the SNPs was confirmed by UV-Visible, FT-IR and X-ray diffraction analysis. The study of bacterial exopolysaccharides capped SNPs with E. coli, S. aureus and M. luteus showed less toxicity compared to uncoated SNPs. Our studies suggested that the capping of nanopartieles by bacterially produced exopolysaccharides serve as the probable mechanism of tolerance.展开更多
文摘This paper develops a mixed Finite Element Method (mFEM) based on both classical rectangular elements (with equal nodal points for all degrees of freedom) and Taylor-hood elements to solve Poisson-Nernst-Planck (PNP) equations with steric effects. The Nernst-Planck (NP) equation for ion fluxes is modified to incorporate finite-size effects in terms of hard-sphere repulsion. The resultant modified NP and Poisson equation representing electrostatic potential is then coupled to form a system of the equation that describes a realistic transport phenomenon in an ion channel. Consequently, we apply mFEM based on both Taylor-hood and classical rectangular elements to discretize the 2D steady system of equations with iterative linearization for the nonlinear components. The numerical scheme is first validated using a 2D analytical solution for PNP equations, the steric components varied and the effects on concentration analyzed and compared against PNP and modified PNP for two monovalent ion species. Classical rectangular elements presented a better comparable approximate solution than Taylor-hood.
基金VIT University Chancellor for providing us with funding to carry out our research
文摘Silver nanoparticle （SNP） is a threat to soil, water and human health. Protection of environment from silver nanoparticles is a major concern. A sewage isolate, Bacillus pumilus treated with SNPs showed similar growth kinetics to that without nanoparticles. A reduction in the amount of exopolysaccharides was observed after SNPs - B. pumilus culture supernatant interaction. The Fourier transform infrared spectroscopy （FT-IR） peaks for the exopolysaccharides extracted from the bacterial culture supernatant and＇the interacted SNPs were almost similar. The exopolysaccharide capping of the SNPs was confirmed by UV-Visible, FT-IR and X-ray diffraction analysis. The study of bacterial exopolysaccharides capped SNPs with E. coli, S. aureus and M. luteus showed less toxicity compared to uncoated SNPs. Our studies suggested that the capping of nanopartieles by bacterially produced exopolysaccharides serve as the probable mechanism of tolerance.
