Convection-diffusion-reaction models of sedimentation : Numerical approximation, analysis of solutions and inverse problems

Sammanfattning: The core of this Doctoral thesis is mainly based in the studies of one-dimensional initial-boundary value problems, which are given by a single non-linear hyperbolic partial differential equation (PDE) with non-convex flux function, or by a system of strongly degenerate parabolic PDEs, for the simulation of sedimentation processes of solid particles immersed in a fluid. Particular attention is paid to the case of settling in vessels with varying cross-sectional area. Sedimentation processes are widely used in wastewater treatment (WWT) and mineral processing, where accurate model calibration and reliable simulators are needed. Among the topics covered in the research presented in this thesis are the construction of entropy solutions, the development and implementation of reliable numerical schemes for hyperbolic PDEs (and systems of PDEs), the solution of inverse problems of flux identification, and the disseminationof results to the applied sciences.The outputs of this thesis can be divided into three parts. The first part (Papers I to III) contains the construction of the entropy solutions for the PDE modeling the batch sedimentation in vessels with non-constant cross-sectional area(Paper I and II) and for the PDE modeling centrifugal sedimentation (Paper III). The problem is in both cases solved by the method of characteristics and the types of solutions are distinguished mainly depending on the initial value.Paper II contains the description and solution of the inverse problem of flux identification for the model of sedimentation in conical vessels due to gravity, and Paper III the inverse problem for the model of centrifugal settling. In bothcases, the solution of the inverse problem has the advantage that almost the entire flux function can be identified from only one experiment. These identification methods mean a significant advantage in comparison with the classic one, made by standard tests in cylindrical vessels, in terms of the portion of flux identified. An algorithm necessary for the identification from discrete data is also presented in each problem (Papers II and III).The second part (Papers IV to VI) includes the development of numerical methods for the simulation of sedimentation in WWT. In Paper IV, a numerical scheme for the case of continuous and batch sedimentation in vessels withvarying cross-sectional area is studied. An advantageous CFL condition is derived as an improvement over other numerical methods for the same kind of application. Simulations of continuous and batch settling are also included.Papers V and VI consider reactive settling, where the unknown is a vector of solid and liquid components, and each model is described by a coupled system of convection-diffusion-reaction PDEs. In Paper V, a method-of-lines formulation for the approximation of the model equations is introduced. This formulation has the advantage that it can be solved by any time stepping solver, such as those commonly used in the WWT community where ordinary differentialequations (ODEs) should be solved simultaneously with the PDE system. Additionally, an invariant-region property is proved for the scheme and simulations of interesting scenarios are presented. In Paper VI, sequencing batch reactors (SBRs) are studied. The model equations for the SBRs are derived following Paper V, but with the addition that in this case, the extraction and filling of mixture lead to a moving-boundary problem. The movement of the boundary is described by an ODE which can be precomputed. A reliable numerical scheme that preserves the mass is proposed and numerical simulations for the case of denitrification are shown.The third part (Papers VII and VIII) is related to applications and dissemination of the flux identification methods to the applied sciences. The validation of the inverse problem for batch settling in conical vessels is presented in Pa-per VII. The validation was carried out with data taken from activated sludge collected from the WWT plant in Västerås, Sweden. Paper VIII contains a review of flux identification methods related to PDE models for sedimentation processes. Advantages and disadvantages are discussed, and simulations of identified fluxes with the methods under study are presented.In Chapter 4 the numerical simulation of multidimensional batch sedimentation is discussed and two-dimensional simulations are presented.