Modeling and simulation of membrane process

2017 ◽  
Vol 2 (6) ◽  
Author(s):  
Maciej Staszak

AbstractThe article presents the different approaches to polymer membrane mathematical modeling. Traditional models based on experimental physicochemical correlations and balance models are presented in the first part. Quantum and molecular mechanics models are presented as they are more popular for polymer membranes in fuel cells. The initial part is enclosed by neural network models which found their use for different types of processes in polymer membranes. The second part is devoted to models of fluid dynamics. The computational fluid dynamics technique can be divided into solving of Navier-Stokes equations and into Boltzmann lattice models. Both approaches are presented focusing on membrane processes.

2012 ◽  
Vol 184-185 ◽  
pp. 944-948 ◽  
Author(s):  
Hai Jun Gong ◽  
Yang Liu ◽  
Xue Yi Fan ◽  
Da Ming Xu

For a clear and comprehensive opinion on segregated SIMPLE algorithm in the area of computational fluid dynamics (CFD) during liquid processing of materials, the most significant developments on the SIMPLE algorithm and its variants are briefly reviewed. Subsequently, some important advances during last 30 years serving as increasing numerical accuracy, enhancing robustness and improving efficiency for Navier–Stokes (N-S) equations of incompressible fluid flow are summarized. And then a so-called Direct-SIMPLE scheme proposed by the authors of present paper introduced, which is different from SIMPLE-like schemes, no iterative computations are needed to achieve the final pressure and velocity corrections. Based on the facts cited in present paper, it conclude that the SIMPLE algorithm and its variants will continue to evolve aimed at convergence and accuracy of solution by improving and combining various methods with different grid techniques, and all the algorithms mentioned above will enjoy widespread use in the future.


Mathematics ◽  
2021 ◽  
Vol 9 (18) ◽  
pp. 2316
Author(s):  
Laura Río-Martín ◽  
Saray Busto ◽  
Michael Dumbser

In this paper, we propose a novel family of semi-implicit hybrid finite volume/finite element schemes for computational fluid dynamics (CFD), in particular for the approximate solution of the incompressible and compressible Navier-Stokes equations, as well as for the shallow water equations on staggered unstructured meshes in two and three space dimensions. The key features of the method are the use of an edge-based/face-based staggered dual mesh for the discretization of the nonlinear convective terms at the aid of explicit high resolution Godunov-type finite volume schemes, while pressure terms are discretized implicitly using classical continuous Lagrange finite elements on the primal simplex mesh. The resulting pressure system is symmetric positive definite and can thus be very efficiently solved at the aid of classical Krylov subspace methods, such as a matrix-free conjugate gradient method. For the compressible Navier-Stokes equations, the schemes are by construction asymptotic preserving in the low Mach number limit of the equations, hence a consistent hybrid FV/FE method for the incompressible equations is retrieved. All parts of the algorithm can be efficiently parallelized, i.e., the explicit finite volume step as well as the matrix-vector product in the implicit pressure solver. Concerning parallel implementation, we employ the Message-Passing Interface (MPI) standard in combination with spatial domain decomposition based on the free software package METIS. To show the versatility of the proposed schemes, we present a wide range of applications, starting from environmental and geophysical flows, such as dambreak problems and natural convection, over direct numerical simulations of turbulent incompressible flows to high Mach number compressible flows with shock waves. An excellent agreement with exact analytical, numerical or experimental reference solutions is achieved in all cases. Most of the simulations are run with millions of degrees of freedom on thousands of CPU cores. We show strong scaling results for the hybrid FV/FE scheme applied to the 3D incompressible Navier-Stokes equations, using millions of degrees of freedom and up to 4096 CPU cores. The largest simulation shown in this paper is the well-known 3D Taylor-Green vortex benchmark run on 671 million tetrahedral elements on 32,768 CPU cores, showing clearly the suitability of the presented algorithm for the solution of large CFD problems on modern massively parallel distributed memory supercomputers.


2015 ◽  
Vol 782 ◽  
pp. 240-259 ◽  
Author(s):  
Jason Frank ◽  
Benedict Leimkuhler ◽  
Keith W. Myerscough

We explore the direct modification of the pseudo-spectral truncation of two-dimensional, incompressible fluid dynamics to maintain a prescribed kinetic energy spectrum. The method provides a means of simulating fluid states with defined spectral properties, for the purpose of matching simulation statistics to given information, arising from observations, theoretical prediction or high-fidelity simulation. In the scheme outlined here, Nosé–Hoover thermostats, commonly used in molecular dynamics, are introduced as feedback controls applied to energy shells of the Fourier-discretized Navier–Stokes equations. As we demonstrate in numerical experiments, the dynamical properties (quantified using autocorrelation functions) are only modestly perturbed by our device, while ensemble dispersion is significantly enhanced compared with simulations of a corresponding truncation incorporating hyperviscosity.


1974 ◽  
Vol 41 (2) ◽  
pp. 343-347 ◽  
Author(s):  
Chang-Yi Wang

A fluid of constant density is forced through the porous bottom of a circular slider which is moving laterally on a flat plane. We assume the radius of the slider is much larger than the gap width between the slider and the plane. The Navier-Stokes equations reduce to a set of nonlinear ordinary differential equations. These equations are solved by three methods: series expansion for small crossflow Reynolds number R, matched asymptotic expansions for large R, and also exact numerical integration. The approximate solutions are compared with the numerical results, which is also an exact solution of the Navier-Stokes. Lift and drag are calculated. If everything else is held fixed, both lift and drag increase rapidly although at different rates, with decreasing gap width.


2021 ◽  
Vol 221 ◽  
pp. 108513
Author(s):  
Zhaobin Li ◽  
Benjamin Bouscasse ◽  
Guillaume Ducrozet ◽  
Lionel Gentaz ◽  
David Le Touzé ◽  
...  

2019 ◽  
pp. 115-128
Author(s):  
Peter Lynch

George Gabriel Stokes made fundamental mathematical contributions to fluid dynamics that had profound practical consequences. The basic equations formulated by him play a central role in numerical weather prediction, in the simulation of blood flow in the body and in countless other important applications. In this chapter the primary focus is on the two most important areas of Stokes’s work on fluid dynamics, the derivation of the Navier–Stokes equations and the theory of finite amplitude oscillatory water waves.


Author(s):  
Thomas Merz

The problem of fluid dynamics can be greatly simplified if, for every point in space, the strain-rate tensor is diagonalized. This tensor is introduced into the Navier-Stokes equations via material law and divergence of the stress tensor. This article shows that local SO(3)xU(1) gauge fields can be used to locally diagonalize the diffusion components of the strain-rate tensor. The gauge fields resulting from the connection can be interpreted as convection components of the flow, they show properties of quasiparticles and can be interpreted as elementary vortices. Thus, the proposed approach not only offers new insights for the solution and situative simplification of the Navier-Stokes equations, it also uncovers hidden symmetries within the flow convection, allowing - depending on boundary conditions - further interpretation.


1998 ◽  
Vol 120 (03) ◽  
pp. 76-78
Author(s):  
Nathalie Hamill

More-intuitive pre-processors and advanced solvers are making computational fluid dynamics (CFD) software easier to use, more accurate, and faster. CFD techniques involve the solution of the Navier-Stokes equations that describe fluid-flow processes. Using MSC/ PATRAN as a starting point, AEA Technology plc, Harwell, Oxfordshire, England, has developed a pre-processor for its software that is fully computer-aided design (CAD)-compatible and works with native CAD databases such as CADDS 5, CATIA, Euclid3, Pro /ENG INEER, and Unigraphics. The simplicity of modeling complex geometries in CFX allows more details to be included in models, such as gangways between coaches, bogies, and even some parts of the pantograph. CFX 5's coupled solver offers a radically different approach that solves all the hydrodynamic equations as a single system. CFX 5 has demonstrated its ability to deliver much faster pre-processing and shorter run times, thus increasing productivity for its users. CFX 5.2 should be a further step forward in commercial CFD, with its mixed element types combining the accuracy of prismatic meshes adjacent to surfaces with the speed and geometric flexibility of tetrahedral elements in the remainder of the grid.


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