Regularization of Poisson--Boltzmann Type Equations with Singular Source Terms Using the Range-Separated Tensor Format

نویسندگان

چکیده

In this paper, we present a new regularization scheme for the linearized Poisson--Boltzmann equation (PBE) which models electrostatic potential of biomolecules in solvent. This is base...

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Numerical approximations of singular source terms in differential equations

Singular terms in differential equations pose severe challenges for numerical approximations on regular grids. Regularization of the singularities is a very useful technique for their representation on the grid. We analyze such techniques for the practically preferred case of narrow support of the regularizations, extending our earlier results for wider support. The analysis also generalizes ex...

متن کامل

A Regularization of Fredholm Type Singular Integral Equations

We present a method to regularize first and second kind integral equations of Fredholm type with singular kernel. By appropriate application of the Poincaré-Bertrand formula we change such integral equations into a second kind Fredholm’s integral equation with at most weakly singular kernel. 2000 Mathematics Subject Classification. 45Exx, 45E05, 45B05.

متن کامل

New Poisson-boltzmann Type Equations: One Dimensional Solutions

The Poisson-Boltzmann (PB) equation is conventionally used to model the equilibrium of bulk ionic species in different media and solvents. In this paper we study a new PoissonBoltzmann type (PB n) equation with a small dielectric parameter 2 and nonlocal nonlinearity which takes into consideration of the preservation of the total amount of each individual ion. This equation can be derived from ...

متن کامل

An effective method for approximating the solution of singular integral equations with Cauchy kernel type

In present paper, a numerical approach for solving Cauchy type singular integral equations is discussed. Lagrange interpolation with Gauss Legendre quadrature nodes and Taylor series expansion are utilized to reduce the computation of integral equations into some algebraic equations. Finally, five examples with exact solution are given to show efficiency and applicability of the method. Also, w...

متن کامل

Solving fluctuation-enhanced Poisson-Boltzmann equations

Electrostatic correlations and fluctuations in ionic systems can be described within an extended Poisson-Boltzmann theory using a Gaussian variational form. The resulting equations are challenging to solve because they require the solution of a non-linear partial differential equation for the pair correlation function. This has limited existing studies to simple approximations or to one-dimensi...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: SIAM Journal on Scientific Computing

سال: 2021

ISSN: ['1095-7197', '1064-8275']

DOI: https://doi.org/10.1137/19m1281435