Numerical Solution Strategies in Permeation Processes

In this work, the strategy for numerical solutions in transport processes is investigated. Permeation problems can be solved analytically or numerically by means of the Finite Difference Method (FDM), while choosing the Euler forward explicit or Euler backwards implicit formalism. The first method is the easiest and most commonly used, while the Euler backwards implicit is not yet well established and needs further development. Hereafter, a possible solution of the Crank-Nicolson algorithm is presented, which makes use of matrix multiplication and inversion, instead of the step-by-step FDM formalism. If one considers the one-dimensional diffusion case, the concentration of the elements can be expressed as a time dependent vector, which also contains the boundary conditions. The numerically stable matrix inversion is performed by the Branch and Bound (B&B) algorithm [2]. Furthermore, the paper will investigate, whether a larger time step can be used for speeding up the simulations. The stability range is investigated by eigenvalue estimation of the Euler forward and Euler backward. In addition, a third solver is considered, referred to as Combined Solver, that is made up of the last two ones. Finally, the Crank-Nicolson solver [9] is investigated. All these results are compared with the analytical solution. The solver stability is analyzed by means of the Steady State Eigenvector (SSEV), a mathematical entity which was developed ad hoc in the present work. In addition, the obtained results will be compared with the analytical solution by Daynes [6,7].

A Mixed Element Algorithm Based on the Modified L1 Crank–Nicolson Scheme for a Nonlinear Fourth-Order Fractional Diffusion-Wave Model

In this article, a new mixed finite element (MFE) algorithm is presented and developed to find the numerical solution of a two-dimensional nonlinear fourth-order Riemann–Liouville fractional diffusion-wave equation. By introducing two auxiliary variables and using a particular technique, a new coupled system with three equations is constructed. Compared to the previous space–time high-order model, the derived system is a lower coupled equation with lower time derivatives and second-order space derivatives, which can be approximated by using many time discrete schemes. Here, the second-order Crank–Nicolson scheme with the modified L1-formula is used to approximate the time direction, while the space direction is approximated by the new MFE method. Analyses of the stability and optimal L2 error estimates are performed and the feasibility is validated by the calculated data.

Método conservativo de diferencias finitas de alto orden para una clase de sistemas de Schrödinger no lineales

Se presenta un método en tiempo para aproximar la solución de una clase de sistemas de ecuaciones no lineales de Schrödinger, el cual conserva la potencia de cada componente y el Hamiltoniano del sistema de manera exacta. Para la discretización espacial se consideran fórmulas explı́citas y compactas de diferencias finitas, ambas de cuarto y sexto orden, sin embargo fórmulas de mayor orden también podrı́an ser utilizadas. La técnica para avanzar en tiempo se basa en unamodificación del esquema conservativo de Crank-Nicolson, la cual se aplica de manera secuencial a cada una de las componentes del campo vectorial. La conservación de los invariantes discretos y el orden de convergencia del método se validan por medio de una serie de experimentos numéricosutilizando diferentes potenciales no lineales.

Numerical Results of Crank-Nicolson and Implicit Schemes to Laplace Equation with Uniform and Non-Uniform Grids

In this paper, we investigate the numerical results between Implicit and Crank-Nicolson method for Laplace equation. Based on the numerical results obtained, we get the conclusion that the absolute error of Crank-Nicolson method is smaller than the absolute error of Implicit method for uniform and non-uniform grids which both refer to the analytical solution of Laplace equation obtained by separable variable method.Keywords: Crank-Nicolson; Implicit; Laplace equation; separable variable method; uniform and non-uniform grids. AbstrakDalam makalah ini, kami menyelidiki hasil numerik antara etode Implisit dan Crank-Nicolson untuk persamaan Laplace. Berdasarkan hasil numerik yang diperoleh, kita mendapatkan kesimpulan bahwa kesalahan absolut metode Crank-Nicolson lebih kecil daripada kesalahan absolut metode Implisit untuk grid seragam dan tak-seragam yang keduanya mengacu pada solusi analitik persamaan Laplace yang diperoleh dengan metode separable.Kata kunci: Crank-Nicolson; Implisit; persamaan Laplace; metode variable terpisah; grid seragam dan tak-seragam.