scholarly journals Theory of Inhomogeneous Rod-like Coulomb Fluids

Symmetry ◽  
2021 ◽  
Vol 13 (2) ◽  
pp. 274
Author(s):  
Rudolf Podgornik
Keyword(s):  
Coupled System ◽  
Donnan Potential ◽  
Saddle Point Approximation ◽  
Nematic Order ◽  
Planar Wall ◽  
Poisson Boltzmann ◽  
Mobile Charges ◽  
Coulomb Fluids ◽  
Classical Partition Function ◽  
Parameter Profile

A field theoretic representation of the classical partition function is derived for a system composed of a mixture of anisotropic and isotropic mobile charges that interact via long range Coulomb and short range nematic interactions. The field theory is then solved on a saddle-point approximation level, leading to a coupled system of Poisson–Boltzmann and Maier–Saupe equations. Explicit solutions are finally obtained for a rod-like counterion-only system in proximity to a charged planar wall. The nematic order parameter profile, the counterion density profile and the electrostatic potential profile are interpreted within the framework of a nematic–isotropic wetting phase with a Donnan potential difference.

scholarly journals Theory of Inhomogeneous Calamitic Coulomb Fluids

2020 ◽  
Author(s):  
Rudolf Podgornik
Keyword(s):  
Coupled System ◽  
Donnan Potential ◽  
Saddle Point Approximation ◽  
Nematic Order ◽  
Planar Wall ◽  
Poisson Boltzmann ◽  
Mobile Charges ◽  
Coulomb Fluids ◽  
Classical Partition Function ◽  
Parameter Profile

A field theoretic representation of the classical partition function is derived for a system composed of a mixture of anisotropic and isotropic mobile charges that interact via long range Coulomb and short range nematic interactions. The field theory is then solved on a saddle-point approximation level, leading to a coupled system of Poisson-Boltzmann and Maier-Saupe equations. Explicit solutions are finally obtained for a calamitic counterion-only system in proximity of a charged planar wall. The nematic order parameter profile, the counterion density profile and the electrostatic potential profile are interpreted within the framework of a nematic-isotropic wetting phase with a Donnan potential difference.

Ion Pairing and Dielectric Decrement in Glycosaminoglycan Brushes

2020 ◽  
Author(s):  
James Sterling ◽  
Wenjuan Jiang ◽  
Wesley M. Botello-Smith ◽  
Yun L. Luo
Keyword(s):  
Molecular Dynamics ◽  
Ion Pairs ◽  
Mean Field ◽  
Salt Bridge ◽  
Ion Pairing ◽  
Donnan Potential ◽  
Mean Field Models ◽  
Ion Exclusion ◽  
Dynamics Simulations ◽  
Contact Ion Pairs

Molecular dynamics simulations of hyaluronic acid and heparin brushes are presented that show important effects of ion-pairing, water dielectric decrease, and co-ion exclusion. Results show equilibria with electroneutrality attained through screening and pairing of brush anionic charges by cations. Most surprising is the reversal of the Donnan potential that would be expected based on electrostatic Boltzmann partitioning alone. Water dielectric decrement within the brush domain is also associated with Born hydration-driven cation exclusion from the brush. We observe that the primary partition energy attracting cations to attain brush electroneutrality is the ion-pairing or salt-bridge energy associated with cation-sulfate and cation-carboxylate solvent-separated and contact ion pairs. Potassium and sodium pairing to glycosaminoglycan carboxylates and sulfates consistently show similar abundance of contact-pairing and solvent-separated pairing. In these crowded macromolecular brushes, ion-pairing, Born-hydration, and electrostatic potential energies all contribute to attain electroneutrality and should therefore contribute in mean-field models to accurately represent brush electrostatics.

Shape Optimization of Hydraulic Structures: an Example of an Optimum Design of a Fish Passage

10.29007/2k64 ◽  
2018 ◽  
Author(s):  
Pat Prodanovic ◽  
Cedric Goeury ◽  
Fabrice Zaoui ◽  
Riadh Ata ◽  
Jacques Fontaine ◽  
...  
Keyword(s):  
Numerical Model ◽  
Shape Optimization ◽  
Objective Function ◽  
Optimum Design ◽  
Optimization Problem ◽  
A Priori ◽  
Coupled System ◽  
Fish Passage ◽  
Hydraulic Structures ◽  
Design Variables

This paper presents a practical methodology developed for shape optimization studies of hydraulic structures using environmental numerical modelling codes. The methodology starts by defining the optimization problem and identifying relevant problem constraints. Design variables in shape optimization studies are configuration of structures (such as length or spacing of groins, orientation and layout of breakwaters, etc.) whose optimal orientation is not known a priori. The optimization problem is solved numerically by coupling an optimization algorithm to a numerical model. The coupled system is able to define, test and evaluate a multitude of new shapes, which are internally generated and then simulated using a numerical model. The developed methodology is tested using an example of an optimum design of a fish passage, where the design variables are the length and the position of slots. In this paper an objective function is defined where a target is specified and the numerical optimizer is asked to retrieve the target solution. Such a definition of the objective function is used to validate the developed tool chain. This work uses the numerical model TELEMAC- 2Dfrom the TELEMAC-MASCARET suite of numerical solvers for the solution of shallow water equations, coupled with various numerical optimization algorithms available in the literature.

Nonlinear singular one dimensional thermo-elasticity coupled system and double Laplace decomposition methods

Filomat ◽  
2017 ◽  
Vol 31 (20) ◽  
pp. 6269-6280
Author(s):  
Hassan Gadain
Keyword(s):  
Laplace Transform ◽  
Decomposition Method ◽  
Adomian Decomposition Method ◽  
Coupled System ◽  
Decomposition Methods ◽  
One Dimensional ◽  
Convergence Proof ◽  
Double Laplace Transform ◽  
Adomian Decomposition

In this work, combined double Laplace transform and Adomian decomposition method is presented to solve nonlinear singular one dimensional thermo-elasticity coupled system. Moreover, the convergence proof of the double Laplace transform decomposition method applied to our problem. By using one example, our proposed method is illustrated and the obtained results are confirmed.

scholarly journals A Fully Implicit Finite Volume Scheme for a Seawater Intrusion Problem in Coastal Aquifers

Water ◽  
2020 ◽  
Vol 12 (6) ◽  
pp. 1639
Author(s):  
Abdelkrim Aharmouch ◽  
Brahim Amaziane ◽  
Mustapha El Ossmani ◽  
Khadija Talali
Keyword(s):  
Finite Volume ◽  
Coastal Aquifers ◽  
Nonlinear Partial Differential Equations ◽  
Time Integration ◽  
Mass Conservation ◽  
Coupled System ◽  
Finite Volume Scheme ◽  
Time Step ◽  
Volume Scheme ◽  
Fully Implicit

We present a numerical framework for efficiently simulating seawater flow in coastal aquifers using a finite volume method. The mathematical model consists of coupled and nonlinear partial differential equations. Difficulties arise from the nonlinear structure of the system and the complexity of natural fields, which results in complex aquifer geometries and heterogeneity in the hydraulic parameters. When numerically solving such a model, due to the mentioned feature, attempts to explicitly perform the time integration result in an excessively restricted stability condition on time step. An implicit method, which calculates the flow dynamics at each time step, is needed to overcome the stability problem of the time integration and mass conservation. A fully implicit finite volume scheme is developed to discretize the coupled system that allows the use of much longer time steps than explicit schemes. We have developed and implemented this scheme in a new module in the context of the open source platform DuMu X . The accuracy and effectiveness of this new module are demonstrated through numerical investigation for simulating the displacement of the sharp interface between saltwater and freshwater in groundwater flow. Lastly, numerical results of a realistic test case are presented to prove the efficiency and the performance of the method.

scholarly journals A Finite Element Approach to the Analysis of Rotating Bladed-Disk Assemblies Coupled With Flexible Shaft

1994 ◽  
Author(s):  
Wen Zhang ◽  
Wenliang Wang ◽  
Hao Wang ◽  
Jiong Tang
Keyword(s):  
Finite Element ◽  
Degrees Of Freedom ◽  
Coupled System ◽  
Equation Of Motion ◽  
Coupled Systems ◽  
The Finite Element Method ◽  
Bladed Disk ◽  
Modal Synthesis ◽  
Element Approach ◽  
Final Equation

A method for dynamic analysis of flexible bladed-disk/shaft coupled systems is presented in this paper. Being independant substructures first, the rigid-disk/shaft and each of the bladed-disk assemblies are analyzed separately in a centrifugal force field by means of the finite element method. Then through a modal synthesis approach the equation of motion for the integral system is derived. In the vibration analysis of the rotating bladed-disk substructure, the geometrically nonlinear deformation is taken into account and the rotationally periodic symmetry is utilized to condense the degrees of freedom into one sector. The final equation of motion for the coupled system involves the degrees of freedom of the shaft and those of only one sector of each of the bladed-disks, thereby reducing the computer storage. Some computational and experimental results are given.

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