Displaying similar documents to “Geometric singular approach to Poisson-Nernst-Planck models with excess chemical potentials: Ion size effects on individual fluxes”

Relative dielectric constants and selectivity ratios in open ionic channels

Bob Eisenberg, Weishi Liu (2017)

Molecular Based Mathematical Biology

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We investigate the effects of the relative dielectric coefficient on ionic flows in open ion channels, using mathematical analysis of reasonably general Poisson-Nernst-Planck type models that can include the finite sizes of ions. The value of the relative dielectric coefficient is of course a crucial parameter for ionic behavior in general. Using the powerful theory of singularly perturbed problems in applied mathematics, we show that some properties of open channels are quite insensitive...

Poisson-Fermi Formulation of Nonlocal Electrostatics in Electrolyte Solutions

Jinn-Liang Liu, Dexuan Xie, Bob Eisenberg (2017)

Molecular Based Mathematical Biology

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We present a nonlocal electrostatic formulation of nonuniform ions and water molecules with interstitial voids that uses a Fermi-like distribution to account for steric and correlation efects in electrolyte solutions. The formulation is based on the volume exclusion of hard spheres leading to a steric potential and Maxwell’s displacement field with Yukawa-type interactions resulting in a nonlocal electric potential. The classical Poisson-Boltzmann model fails to describe steric and correlation...

Modification of Bikerman model with specific ion sizes

Tzyy-Leng Horng, Ping-Hsuan Tsai, Tai-Chia Lin (2017)

Molecular Based Mathematical Biology

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Classical Poisson-Boltzman and Poisson-Nernst-Planck models can only work when ion concentrations are very dilute, which often mismatches experiments. Researchers have been working on the modification to include finite-size effect of ions, which is non-negelible when ion concentrations are not dilute. One of modified models with steric effect is Bikerman model, which is rather popular nowadays. It is based on the consideration of ion size by putting additional entropy term for solvent...

Probabilistic Interpretation for the Nonlinear Poisson-Boltzmann Equation in Molecular Dynamics

Nicolas Perrin (2012)

ESAIM: Proceedings

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The Poisson-Boltzmann (PB) equation describes the electrostatic potential of a biomolecular system composed by a molecule in a solvent. The electrostatic potential is involved in biomolecular models which are used in molecular simulation. In consequence, finding an efficient method to simulate the numerical solution of PB equation is very useful. As a first step, we establish in this paper a probabilistic interpretation of the nonlinear PB equation with Backward Stochastic Differential...

Stationary solutions of the generalized Smoluchowski-Poisson equation

Robert Stańczy (2008)

Banach Center Publications

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The existence of steady states in the microcanonical case for a system describing the interaction of gravitationally attracting particles with a self-similar pressure term is proved. The system generalizes the Smoluchowski-Poisson equation. The presented theory covers the case of the model with diffusion that obeys the Fermi-Dirac statistic.

The Child–Langmuir limit for semiconductors: a numerical validation

María-José Cáceres, José-Antonio Carrillo, Pierre Degond (2010)

ESAIM: Mathematical Modelling and Numerical Analysis

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The Boltzmann–Poisson system modeling the electron flow in semiconductors is used to discuss the validity of the Child–Langmuir asymptotics. The scattering kernel is approximated by a simple relaxation time operator. The Child–Langmuir limit gives an approximation of the current-voltage characteristic curves by means of a scaling procedure in which the ballistic velocity is much larger that the thermal one. We discuss the validity of the Child–Langmuir regime by performing detailed...

Modeling and Simulation of Thermo-Fluid-Electrochemical Ion Flow in Biological Channels

Riccardo Sacco, Fabio Manganini, Joseph W. Jerome (2015)

Molecular Based Mathematical Biology

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In this articlewe address the study of ion charge transport in the biological channels separating the intra and extracellular regions of a cell. The focus of the investigation is devoted to including thermal driving forces in the well-known velocity-extended Poisson-Nernst-Planck (vPNP) electrodiffusion model. Two extensions of the vPNP system are proposed: the velocity-extended Thermo-Hydrodynamic model (vTHD) and the velocity-extended Electro-Thermal model (vET). Both formulations...

A boundary integral Poisson-Boltzmann solvers package for solvated bimolecular simulations

Weihua Geng (2015)

Molecular Based Mathematical Biology

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Numerically solving the Poisson-Boltzmann equation is a challenging task due to the existence of the dielectric interface, singular partial charges representing the biomolecule, discontinuity of the electrostatic field, infinite simulation domains, etc. Boundary integral formulation of the Poisson-Boltzmann equation can circumvent these numerical challenges and meanwhile conveniently use the fast numerical algorithms and the latest high performance computers to achieve combined improvement...

Compartmental Models of Migratory Dynamics

J. Knisley, T. Schmickl, I. Karsai (2011)

Mathematical Modelling of Natural Phenomena

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Compartmentalization is a general principle in biological systems which is observable on all size scales, ranging from organelles inside of cells, cells in histology, and up to the level of groups, herds, swarms, meta-populations, and populations. Compartmental models are often used to model such phenomena, but such models can be both highly nonlinear and difficult to work with. Fortunately, there are many significant biological systems that are amenable to linear compartmental...

Compound Compound Poisson Risk Model

Minkova, Leda D. (2009)

Serdica Mathematical Journal

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2000 Mathematics Subject Classification: 60K10, 62P05. The compound Poisson risk models are widely used in practice. In this paper the counting process in the insurance risk model is a compound Poisson process. The model is called Compound Compound Poisson Risk Model. Some basic properties and ruin probability are given. We analyze the model under the proportional reinsurance. The optimal retention level and the corresponding adjustment coefficient are obtained. The particular...

A Quantum Corrected Poisson-Nernst-Planck Model for Biological Ion Channels

Jinn-Liang Liu (2015)

Molecular Based Mathematical Biology

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A quantum corrected Poisson-Nernst-Planck (QCPNP) model is proposed for simulating ionic currents through biological ion channels by taking into account both classical and quantum mechanical effects. A generalized Gummel algorithm is also presented for solving the model system. Compared with the experimental results of X-ray crystallography, it is shown that the quantum PNP model is more accurate than the classical model in predicting the average number of ions in the channel pore. Moreover,...

The Child–Langmuir limit for semiconductors : a numerical validation

María-José Cáceres, José-Antonio Carrillo, Pierre Degond (2002)

ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique

Similarity:

The Boltzmann–Poisson system modeling the electron flow in semiconductors is used to discuss the validity of the Child–Langmuir asymptotics. The scattering kernel is approximated by a simple relaxation time operator. The Child–Langmuir limit gives an approximation of the current-voltage characteristic curves by means of a scaling procedure in which the ballistic velocity is much larger that the thermal one. We discuss the validity of the Child–Langmuir regime by performing detailed numerical...