On Enforcing Maximum Principles and Element-wise Species Balance for Advective-diffusive-reactive Systems

On Enforcing Maximum Principles and Element-wise Species Balance for Advective-diffusive-reactive Systems
Title On Enforcing Maximum Principles and Element-wise Species Balance for Advective-diffusive-reactive Systems PDF eBook
Author Maruti Kumar Mudunuru
Publisher
Pages
Release 2015
Genre Civil engineering
ISBN

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This dissertation aims at developing robust numerical methodologies to solve advective-diffusive-reactive systems that provide accurate and physical solutions for a wide range of input data (e.g., Péclet and Damköhler numbers) and for complicated geometries. It is well-known that physical quantities like concentration of chemical species and the absolute temperature naturally attain non-negative values. Moreover, the governing equations of an advective-diffusive-reactive system are either elliptic (in the case of steady-state response) or parabolic (in the case of transient response) partial differential equations, which possess important mathematical properties like comparison principles, maximum-minimum principles, non-negativity, and monotonicity of the solution. It is desirable and in many situations necessary for a predictive numerical solver to meet important physical constraints. For example, a negative value for the concentration in a numerical simulation of reactive-transport will result in an algorithmic failure. The objective of this dissertation is two fold. First, we show that many existing popular numerical formulations, open source scientific software packages, and commercial packages do not inherit or mimic fundamental properties of continuous advective-diffusive-reactive systems. For instance, the popular standard single-field Galerkin formulation produces negative values and spurious node-to-node oscillations for the primary variables in advection-dominated and reaction-dominated diffusion-type equations. Furthermore, the violation is not mere numerical noise and cannot be neglected. Second, we shall provide various numerical methodologies to overcome such difficulties. We critically evaluate their performance and computational cost for a wide range of Péclet and Damköhler numbers. We first derive necessary and sufficient conditions on the finite element matrices to satisfy discrete comparison principle, discrete maximum principle, and non-negative constraint. Based on these conditions, we obtain restrictions on the computational mesh and generate physics-compatible meshes that satisfy discrete properties using open source mesh generators. We then show that imposing restrictions on computational grids may not always be a viable approach to achieve physically meaningful non-negative solutions for complex geometries and highly anisotropic media. We therefore develop a novel structure-preserving numerical methodology for advective-diffusive reactive systems that satisfies local and global species balance, comparison principles, maximum principles, and the non-negative constraint on coarse computational grids. This methodology can handle complex geometries and highly anisotropic media. The proposed framework can be an ideal candidate for predictive simulations in groundwater modeling, reactive transport, environmental fluid mechanics, and modeling of degradation of materials. The framework can also be utilized to numerically obtain scaling laws for complicated problems with non-trivial initial and boundary conditions.

Mathematical Analysis and Computing

Mathematical Analysis and Computing
Title Mathematical Analysis and Computing PDF eBook
Author R. N. Mohapatra
Publisher Springer Nature
Pages 661
Release 2021-05-05
Genre Mathematics
ISBN 9813346469

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This book is a collection of selected papers presented at the International Conference on Mathematical Analysis and Computing (ICMAC 2019) held at Sri Sivasubramaniya Nadar College of Engineering, Chennai, India, from 23–24 December 2019. Having found its applications in game theory, economics, and operations research, mathematical analysis plays an important role in analyzing models of physical systems and provides a sound logical base for problems stated in a qualitative manner. This book aims at disseminating recent advances in areas of mathematical analysis, soft computing, approximation and optimization through original research articles and expository survey papers. This book will be of value to research scholars, professors, and industrialists working in these areas.

Hydrodynamic Fluctuations in Fluids and Fluid Mixtures

Hydrodynamic Fluctuations in Fluids and Fluid Mixtures
Title Hydrodynamic Fluctuations in Fluids and Fluid Mixtures PDF eBook
Author Jose M. Ortiz de Zarate
Publisher Elsevier
Pages 321
Release 2006-04-19
Genre Science
ISBN 0080459439

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This book deals with density, temperature, velocity and concentration fluctuations in fluids and fluid mixtures. The book first reviews thermal fluctuations in equilibrium fluids on the basis of fluctuating hydrodynamics. It then shows how the method of fluctuating hydrodynamics can be extended to deal with hydrodynamic fluctuations when the system is in a stationary nonequilibrium state. In contrast to equilibrium fluids where the fluctuations are generally short ranged unless the system is close to a critical point, fluctuations in nonequilibrium fluids are always long-ranged encompassing the entire system. The book provides the first comprehensive treatment of fluctuations in fluids and fluid mixtures brought out of equilibrium by the imposition of a temperature and concentration gradient but that are still in a macroscopically quiescent state. By incorporating appropriate boundary conditions in the case of fluid layers, it is shown how fluctuating hydrodynamics affects the fluctuations close to the onset of convection. Experimental techniques of light scattering and shadowgraphy for measuring nonequilibrium fluctuations are elucidated and the experimental results thus far reported in the literature are reviewed. · Systematic exposition of fluctuating hydrodynamics and its applications· First book on nonequilibrium fluctuations in fluids· Fluctuating Boussinesq equations and nonequilibrium fluids· Fluid layers and onset of convection· Rayleigh scattering and Brillouin scattering in fluids· Shadowgraph technique for measuring fluctuations· Fluctuations near hydrodynamic instabilities

Model Order Reduction: Theory, Research Aspects and Applications

Model Order Reduction: Theory, Research Aspects and Applications
Title Model Order Reduction: Theory, Research Aspects and Applications PDF eBook
Author Wilhelmus H. Schilders
Publisher Springer Science & Business Media
Pages 471
Release 2008-08-27
Genre Mathematics
ISBN 3540788417

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The idea for this book originated during the workshop “Model order reduction, coupled problems and optimization” held at the Lorentz Center in Leiden from S- tember 19–23, 2005. During one of the discussion sessions, it became clear that a book describing the state of the art in model order reduction, starting from the very basics and containing an overview of all relevant techniques, would be of great use for students, young researchers starting in the ?eld, and experienced researchers. The observation that most of the theory on model order reduction is scattered over many good papers, making it dif?cult to ?nd a good starting point, was supported by most of the participants. Moreover, most of the speakers at the workshop were willing to contribute to the book that is now in front of you. The goal of this book, as de?ned during the discussion sessions at the workshop, is three-fold: ?rst, it should describe the basics of model order reduction. Second, both general and more specialized model order reduction techniques for linear and nonlinear systems should be covered, including the use of several related numerical techniques. Third, the use of model order reduction techniques in practical appli- tions and current research aspects should be discussed. We have organized the book according to these goals. In Part I, the rationale behind model order reduction is explained, and an overview of the most common methods is described.

Flowing Matter

Flowing Matter
Title Flowing Matter PDF eBook
Author Federico Toschi
Publisher Springer Nature
Pages 309
Release 2019-09-25
Genre Science
ISBN 3030233707

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This open access book, published in the Soft and Biological Matter series, presents an introduction to selected research topics in the broad field of flowing matter, including the dynamics of fluids with a complex internal structure -from nematic fluids to soft glasses- as well as active matter and turbulent phenomena. Flowing matter is a subject at the crossroads between physics, mathematics, chemistry, engineering, biology and earth sciences, and relies on a multidisciplinary approach to describe the emergence of the macroscopic behaviours in a system from the coordinated dynamics of its microscopic constituents. Depending on the microscopic interactions, an assembly of molecules or of mesoscopic particles can flow like a simple Newtonian fluid, deform elastically like a solid or behave in a complex manner. When the internal constituents are active, as for biological entities, one generally observes complex large-scale collective motions. Phenomenology is further complicated by the invariable tendency of fluids to display chaos at the large scales or when stirred strongly enough. This volume presents several research topics that address these phenomena encompassing the traditional micro-, meso-, and macro-scales descriptions, and contributes to our understanding of the fundamentals of flowing matter. This book is the legacy of the COST Action MP1305 “Flowing Matter”.

Reduced Order Methods for Modeling and Computational Reduction

Reduced Order Methods for Modeling and Computational Reduction
Title Reduced Order Methods for Modeling and Computational Reduction PDF eBook
Author Alfio Quarteroni
Publisher Springer
Pages 338
Release 2014-06-05
Genre Mathematics
ISBN 3319020900

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This monograph addresses the state of the art of reduced order methods for modeling and computational reduction of complex parametrized systems, governed by ordinary and/or partial differential equations, with a special emphasis on real time computing techniques and applications in computational mechanics, bioengineering and computer graphics. Several topics are covered, including: design, optimization, and control theory in real-time with applications in engineering; data assimilation, geometry registration, and parameter estimation with special attention to real-time computing in biomedical engineering and computational physics; real-time visualization of physics-based simulations in computer science; the treatment of high-dimensional problems in state space, physical space, or parameter space; the interactions between different model reduction and dimensionality reduction approaches; the development of general error estimation frameworks which take into account both model and discretization effects. This book is primarily addressed to computational scientists interested in computational reduction techniques for large scale differential problems.

Theory of Porous Media

Theory of Porous Media
Title Theory of Porous Media PDF eBook
Author Reint de Boer
Publisher Springer Science & Business Media
Pages 626
Release 2012-12-06
Genre Science
ISBN 3642596371

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This is a consistent treatment of the material-independent fundamental equations of the theory of porous media, formulating constitutive equations for frictional materials in the elastic and plastic range, while tracing the historical development of the theory. Thus, for the first time, a unique treatment of fluid-saturated porous solids is presented, including an explanation of the corresponding theory by way of its historical progression, and a thorough description of its current state.