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PD Dr. Florian Frank

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      • Modern approaches to solving the Full-Stokes problem in the context of ice sheet modeling
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      • Cooling of a battery module
      • A discontinuous Galerkin method for the subjective surfaces problem
      • Interactive High-Performance Computing
      • Non-newtonian two-phase flow
      • Temporal Multiscale Methods for an Atherosclerosis Model
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      • Optimization of Airlay Processes
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      • Particulate flows in industrial applications
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PD Dr. Florian Frank

PD Dr. Florian Frank

PD Dr. Florian Frank

Department of Mathematics
Chair of Applied Mathematics (Scientific Computing) (Prof. Dr. Bänsch)

Cauerstraße 11
91058 Erlangen
  • Email: florian.frank@fau.de
  • Website: https://en.www.math.fau.de/angewandte-mathematik-3/mitarbeiter-am3/pd-dr-florian-frank/

Research interest

  • High-performance computing (HPC)
  • Digital rock, flow and transport in porous media
  • Phase-field modeling, chemical engineering, separation science
  • Discontinuous Galerkin and finite volume methods, physics preservation

Curriculum vitae

Education

10/2019 Dr. habil. (teaching qualification for mathematics, FAU)
11/2013 Dr. rer. nat. (doctorate in applied mathematics, FAU, Prof. Dr. P. Knabner)
10/2008–11/2013 Promotionsstudium in Angewandter Mathematik, FAU
10/2008 Diplom-Mathematiker Univ., FAU
10/2002–10/2008 Studiengang Diplom-Mathematik, Nebenfach Informatik, FAU
06/2002 Zeugnis der allgemeinen Hochschulreife, Bayern (Abitur)
09/1992–06/2002 Gymnasium Lichtenfels, naturwissenschaftlicher Zweig

Academic employment

10/2021-03/2022 Universitätsprofessor (W2, Vertretung), Angewandte Mathematik (Wissenschaftliches Rechnen), FAU
10/2018-09/2021 Universitätsprofessor (W2, Vertretung), Angewandte Mathematik (Mathematische Modellierung), FAU
03/2018–09/2018 Universitätsprofessor (W3, Vertretung), Angewandte Mathematik, FAU
08/2017–02/2018 Senior Postdoctoral Research Associate am CAAM Department, Rice University
08/2014–07/2017 Postdoctoral Research Associate am CAAM Department, Rice University
12/2013–06/2014 Postdoktorand am Lehrstuhl für Angewandte Mathematik 1, FAU
11/2008–11/2013 Wissenschaftlicher Mitarbeiter am Lehrstuhl für Angewandte Mathematik 1, FAU
04/2010–12/2011 Wissenschaftlicher Mitarbeiter am Lehrstuhl für Hydrogeologie, Universität Jena
11/2008–10/2009 Wissenschaftlicher Mitarbeiter am Lehrstuhl für Hydrogeologie, Universität Jena

Awards and honors

10/2020 Recipient of the Emmy-Noether Award for the habilitation, Faculty of Natural Sciences, FAU
05/2017 Promotion to the position of a Senior Postdoctoral Research Associate, George R. Brown School of Engineering, Rice University, Houston, TX, USA

Academic service

Reviewer of international journals

Advances in Water Resources
Applied Mathematical Modelling
Chemical Engineering Science
Computational Geosciences
Computer Methods in Applied Mechanics and Engineering
Computer Physics Communications
Computers and Mathematics with Applications
Journal of Colloid and Interface Science
Journal of Computational Methods in Sciences and Engineering
Journal of Computational Physics
Numerical Algorithms
SIAM Journal of Applied Mathematics
SPE Journal (Society of Petroleum Engineers)

Redaktionsleitung

Guest editor of the special issue „Advanced Modeling and Simulation of Flow in Subsurface Reservoirs with Fractures and Wells for a Sustainable Industry“ der Zeitschrift Oil & Gas Science and Technology — Revue d’IFP Energies nouvelles.

Current courses (UnivIS feed)

No matching records found.

Lecturing and supervision

Lecturing (as a professor)

WS 2021/2022 Vorlesung und Übung zu Mathematik für Ingenieure C3 (Informatik)
SS 2021 Vorlesung, Übung und Tutorium zu Diskretisierung und numerische Optimierung
SS 2021 Programmierkurs Matlab/Octave für Integrated Life Sciences
SS 2021 Seminar Mathematische Modellierung und Datenanalyse (mit M. Burger, D. Tenbrinck)
WS 2020/2021 Vorlesung, Übung und Tutorium zu Einführung in die Numerische Mathematik
WS 2020/2021 Programmierkurs Matlab/Octave zu Einführung in die Numerische Mathematik
WS 2020/2021 Seminar zu Diskretisierung und numerische Optimierung
SS 2020 Vorlesung, Übung und Tutorium zu Diskretisierung und numerische Optimierung
SS 2020 Kurs Modeling, Simulation, and Optimization, Practical Course (in English)
WS 2019/2020 Vorlesung, Übung und Tutorium zu Einführung in die Numerische Mathematik
WS 2019/2020 Programmierkurs Matlab/Octave zu Einführung in die Numerische Mathematik
SS 2019 Vorlesung und Übung zu Numerics of Partial Differential Equations II (in English)
SS 2019 Kurs Modeling, Simulation, and Optimization, Practical Course (in English)
SS 2019 Seminar Modellierung und Simulation
SS 2019 Programmierkurs Matlab/Octave für Integrated Life Sciences
WS 2018/2019 Vorlesung und Übung zu Numerics of Partial Differential Equations I (in English)
WS 2018/2019 Seminar Diskretisierung und Numerische Optimierung
SS 2018 Vorlesung und Übung zu Differentialgleichungsmodelle
SS 2018 Kurs Modeling, Simulation, and Optimization, Practical Course (in English)
SS 2018 Seminar Numerik nichtlinearer Gleichungssysteme

Lecturing (as a research assistant\,/\,associate)

SS 2014 Organisation und Leitung des Kurses (Vorlesung, Übung): Finite Element Programming (in English, P. Knabner)
SS 2014 Organisation und Leitung des Kurses (Vorlesung, Übung): Einführung in Matlab/Octave (P. Knabner)
WS 2013/2014 Betreuung des Seminars Angewandte Mathematik: Fließ- und Transportprozesse
WS 2013/2014 Mitarbeit im Programmierpraktikum zur Vorlesung Computational Biology (in English, R. Böckmann/V. Aizinger)
SS 2013 Organisation und Leitung des Kurses (Vorlesung, Übung) Einführung in Matlab/Octave (P. Knabner)
SS 2013 Mitarbeit im Kurs Wiederholungskurs zu Mathematik für Ingenieure I (V. Aizinger)
WS 2012/2013 Organisation und Betreuung der Übung zu Einführung in die Numerische Mathematik (P. Knabner)
SS 2012 Organisation und Leitung des Kurses (Vorlesung, Übung) Einführung in Matlab/Octave (G. Grün)
WS 2011/2012 Organisation der Übung zu Einführung in die Numerische Mathematik (N. Marheineke)
SS 2011 Organisation und Leitung des Kurses (Vorlesung, Übung) Tutorium zur Einführung in die Numerische Mathematik (N. Marheineke)
SS 2011 Organisation und Betreuung der Übung zu Numerik II für Ingenieure (N. Marheineke)
WS 2010/2011 Organisation und Betreuung der Übung zu Numerik I für Ingenieure (N. Marheineke)
SS 2010 Organisation der Übung zu Numerische Mathematik II (G. Grün)
WS 2009/2010 Organisation und Leitung des Kurses Rechnergestützte Mathematik zur Linearen Algebra (P. Knabner)
SS 2009 Betreuung der Übung zu Numerics of Partial Differential Equations II (P. Knabner)
WS 2008/2009 Betreuung der Übung zu Numerics of Partial Differential Equations I (P. Knabner)

Lecturing (as a student)

SS 2006 Betreuung der Übung zu Numerik II (M. Bause)
WS 2005/2006 Betreuung der Übung zu Numerik I (M. Bause)

Supervision and assessment

seit 07/2021 Betreuer und Gutacher der Masterarbeit „Fast and robust numerical solutions of density gradient theory equations for arbitrary components“ von Herrn Paul Maidl (Computational and Applied Mathematics)
06/2021–08/2021 Betreuer und Gutacher der Bachelorarbeit „Localization of a discrete preconditon operator for Stokes Schur complements“ von Herrn Fabian Woller (Mathematik)
05/2020–10/2020 Betreuer und Gutacher der Masterarbeit „High-performance preconditioning of the Stokes equation in complex domains“ von Herrn Andreas Meier (Computational and Applied Mathematics)
10/2019–03/2020 Betreuer und Gutacher der Masterarbeit „Analysis and implementation of an enriched Galerkin scheme for the shallow-water equations“ von Herrn Moritz Hauck (Mathematik)
06/2019–12/2019 Betreuer und Gutacher der Bachelorarbeit „Slope-Limitierung für die Enriched-Galerkin-Diskretisierung der Advektionsgleichung“ von Herrn Lukas Weigand (Technomathematik)
05/2019–11/2019 Betreuer und Gutacher der Bachelorarbeit „Ein Finite-Volumen-Verfahren auf unstrukturierten Gittern für die Cahn-Hilliard-Gleichung“ von Herrn Paul Maidl (Mathematik)
06/2018–10/2018 Betreuer und Gutacher der Bachelorarbeit „Stabilization techniques for the finite element method applied on advection-dominated problems“ von Herrn Moritz Hauck (Mathematik)
06/2018–10/2018 Betreuer und Gutacher der Bachelorarbeit „Jacobian-free Newton–Krylov methods applied to the Cahn–Hilliard equation with degenerate mobility“ von Herrn Tim Roith (Mathematik)
06/2018–09/2018 Betreuer und Gutacher der Bachelorarbeit „Simulation of reactive transport in saturated porous media with porosity changes through mineral dissolution and precipitation“ von Herrn Andreas Meier (Mathematik)
07/2018 Zweitgutachter der Masterarbeit „A hybridizable discontinuous Galerkin scheme with different orders of approximation spaces capable of dealing with jump conditions: analysis and implementation} von Markus Musch (Mathematik, Betreuer: P. Knabner)
02/2014–05/2014 Kobetreuer der Bachelorarbeit „Mutual Coupling of PDE Systems: Unsaturated Flow and Mineral Reactions with Porosity Changes“ von Jens Oberlander (Mathematik, Betreuer: P. Knabner)
02/2012–08/2012 Kobetreuer der Masterarbeit „Mathematical Modeling and Simulation of a Microfluidic Reactor“ von Beatriz Pérez-Pardo (Computational Engineering, Betreuer: P. Knabner)

Publications (CRIS feed)

2023

  • Gärttner S., Alpak FO., Meier A., Ray N., Frank F.:
    Estimating permeability of 3D micro-CT images by physics-informed CNNs based on DNS
    In: Computational Geosciences (2023)
    ISSN: 1420-0597
    DOI: 10.1007/s10596-022-10184-0
    URL: https://link.springer.com/article/10.1007/s10596-022-10184-0
    BibTeX: Download

2022

  • Meier A., Bänsch E., Frank F.:
    Schur preconditioning of the Stokes equations in channel-dominated domains
    In: Computer Methods in Applied Mechanics and Engineering 398 (2022)
    ISSN: 0045-7825
    DOI: 10.1016/j.cma.2022.115264
    BibTeX: Download
  • Werner P., Burger M., Frank F., Garcke H.:
    A diffuse interface model for cell blebbing including membrane-cortex coupling with linker dynamics
    In: SIAM Journal on Applied Mathematics 3 (2022), p. 1091-1112
    ISSN: 0036-1399
    DOI: 10.1137/21m1433642
    BibTeX: Download

2021

  • Sun S., Edwards M., Frank F., Li J., Salama A., Yu B.:
    Editorial: Advanced modeling and simulation of flow in subsurface reservoirs with fractures and wells for a sustainable industry
    In: Oil & Gas Science and Technology-Revue De L Institut Francais Du Petrole 76 (2021)
    ISSN: 1294-4475
    DOI: 10.2516/ogst/2021008
    BibTeX: Download

2020

  • Alecsa CD., Boros I., Frank F., Knabner P., Nechita M., Prechtel A., Rupp A., Suciu N.:
    Numerical benchmark study for flow in highly heterogeneous aquifers
    In: Advances in Water Resources (2020), p. 103558
    ISSN: 0309-1708
    DOI: 10.1016/j.advwatres.2020.103558
    BibTeX: Download
  • Frank F., Rupp A., Kuzmin D.:
    Bound-preserving flux limiting schemes for DG discretizations of conservation laws with applications to the Cahn–Hilliard equation
    In: Computer Methods in Applied Mechanics and Engineering 359 (2020)
    ISSN: 0045-7825
    DOI: 10.1016/j.cma.2019.112665
    BibTeX: Download
  • Hauck M., Aizinger V., Frank F., Hajduk H., Rupp A.:
    Enriched Galerkin method for the shallow-water equations
    In: GEM - International Journal on Geomathematics 11 (2020), Article No.: 31
    ISSN: 1869-2672
    DOI: 10.1007/s13137-020-00167-7
    BibTeX: Download
  • Liu C., Frank F., Thiele C., Alpak FO., Berg S., Chapman W., Riviere B.:
    An efficient numerical algorithm for solving viscosity contrast Cahn–Hilliard–Navier–Stokes system in porous media
    In: Journal of Computational Physics 400 (2020), Article No.: 108948
    ISSN: 0021-9991
    DOI: 10.1016/j.jcp.2019.108948
    BibTeX: Download
  • Reuter B., Hajduk H., Rupp A., Frank F., Aizinger V., Knabner P.:
    FESTUNG 1.0: Overview, usage, and example applications of the MATLAB/GNU Octave toolbox for discontinuous Galerkin methods
    In: Computers & Mathematics with Applications (2020)
    ISSN: 0898-1221
    DOI: 10.1016/j.camwa.2020.08.018
    BibTeX: Download
  • Reuter B., Rupp A., Aizinger V., Frank F., Knabner P.:
    FESTUNG: A MATLAB / GNU Octave Toolbox for the Discontinuous Galerkin Method. Part IV: Generic Problem Framework and Model-Coupling Interface
    In: Communications in Computational Physics 28 (2020), p. 827-876
    ISSN: 1815-2406
    DOI: 10.4208/cicp.OA-2019-0132
    BibTeX: Download

2019

  • Liu C., Frank F., Alpak FO., Rivière B.:
    An interior penalty discontinuous Galerkin approach for 3D incompressible Navier–Stokes equation for permeability estimation of porous media
    In: Journal of Computational Physics 396 (2019), p. 669-686
    ISSN: 0021-9991
    DOI: 10.1016/j.jcp.2019.06.052
    BibTeX: Download
  • Liu C., Frank F., Rivière B.:
    Numerical error analysis for nonsymmetric interior penalty discontinuous Galerkin method of Cahn–Hilliard equation
    In: Numerical Methods For Partial Differential Equations (2019)
    ISSN: 0749-159X
    DOI: 10.1002/num.22362
    BibTeX: Download

2018

  • Alpak FO., Samardžić A., Frank F.:
    A distributed parallel direct simulator for pore-scale two-phase flow on digital rock images using a finite difference implementation of the phase-field method
    In: Journal of Petroleum Science and Engineering 166 (2018), p. 806–824
    ISSN: 0920-4105
    DOI: 10.1016/j.petrol.2017.11.022
    URL: https://www.sciencedirect.com/science/article/abs/pii/S0920410517309051?via=ihub
    BibTeX: Download
  • Frank F., Liu C., Alpak FO., Berg S., Rivière B.:
    Direct numerical simulation of flow on pore-scale images using the phase-field method
    In: Spe Journal 23 (2018), p. 1–18
    ISSN: 1086-055X
    DOI: 10.2118/182607-PA
    URL: https://www.onepetro.org/journal-paper/SPE-182607-PA
    BibTeX: Download
  • Frank F., Liu C., Alpak FO., Rivière B.:
    A finite volume/discontinuous Galerkin method for the advective Cahn–Hilliard equation with degenerate mobility on porous domains stemming from micro-CT imaging
    In: Computational Geosciences 22 (2018), p. 543–563
    ISSN: 1420-0597
    DOI: 10.1007/s10596-017-9709-1
    URL: https://link.springer.com/article/10.1007/s10596-017-9709-1
    BibTeX: Download
  • Frank F., Liu C., Scanziani A., Alpak FO., Rivière B.:
    An energy-based equilibrium contact angle boundary condition on jagged surfaces for phase-field methods
    In: Journal of Colloid and Interface Science 523 (2018), p. 282–291
    ISSN: 0021-9797
    DOI: 10.1016/j.jcis.2018.02.075
    BibTeX: Download
  • Mu X., Frank F., Rivière B., Alpak FO., Chapman WG.:
    Mass-conserved density gradient theory model for nucleation process
    In: Industrial & Engineering Chemistry Research (2018)
    ISSN: 0888-5885
    DOI: 10.1021/acs.iecr.8b03389
    URL: https://pubs.acs.org/doi/10.1021/acs.iecr.8b03389
    BibTeX: Download

2017

  • Frank F., Knabner P.:
    Convergence analysis of a BDF2/mixed finite element discretization of a Darcy–Nernst–Planck–Poisson system
    In: Esaim-Mathematical Modelling and Numerical Analysis-Modelisation Mathematique Et Analyse Numerique 51 (2017), p. 1883-1902
    ISSN: 0764-583X
    DOI: 10.1051/m2an/2017002
    URL: https://www1.am.uni-erlangen.de/research/publications/Jahr_2017/2017_FrankKn_ConvergenceAnalysisOfBDFDarcyNernstPlanckPoissonSystem
    BibTeX: Download
  • Mu X., Frank F., Alpak FO., Chapman WG.:
    Stabilized density gradient theory algorithm for modeling interfacial properties of pure and mixed systems
    In: Fluid Phase Equilibria 435 (2017), p. 118–130
    ISSN: 0378-3812
    DOI: 10.1016/j.fluid.2016.11.024
    BibTeX: Download
  • Thiele C., Araya-Polo M., Alpak FO., Rivière B., Frank F.:
    Inexact hierarchical scale separation: a two-scale approach for linear systems from discontinuous Galerkin discretizations
    In: Computers & Mathematics with Applications 74 (2017), p. 1769–1778
    ISSN: 0898-1221
    DOI: 10.1016/j.camwa.2017.06.025
    URL: https://www.sciencedirect.com/science/article/pii/S0898122117303735?via=ihub
    BibTeX: Download

2016

  • Alpak FO., Rivière B., Frank F.:
    A phase-field method for the direct simulation of two-phase flows in pore-scale media using a non-equilibrium wetting boundary condition
    In: Computational Geosciences 20 (2016), p. 881–908
    ISSN: 1420-0597
    DOI: 10.1007/s10596-015-9551-2
    URL: https://link.springer.com/article/10.1007/s10596-015-9551-2
    BibTeX: Download
  • Reuter B., Aizinger V., Wieland M., Frank F., Knabner P.:
    FESTUNG: A MATLAB /GNU Octave toolbox for the discontinuous Galerkin method. Part II: Advection operator and slope limiting
    In: Computers & Mathematics with Applications 72 (2016), p. 1896-1925
    ISSN: 0898-1221
    DOI: 10.1016/j.camwa.2016.08.006
    URL: https://www1.am.uni-erlangen.de/research/publications/Jahr_2016/2016_ReuterAizingerWielandFrankKn_FestungAMatLabGnuPartII
    BibTeX: Download
  • Schulz R., Ray N., Frank F., Mahato H., Knabner P.:
    Strong solvability up to clogging of an effective diffusion-precipitation model in an evolving porous medium
    In: European Journal of Applied Mathematics (2016), p. 1-29
    ISSN: 0956-7925
    DOI: 10.1017/S0956792516000164
    URL: https://www1.am.uni-erlangen.de/research/publications/Jahr_2016/2016_SchulzRayFrankMahatoKn_StrongSolvUpToCloggingInAnEvolvingPM
    BibTeX: Download

2015

  • Frank F., Reuter B., Aizinger V., Knabner P.:
    FESTUNG: A MATLAB/GNU Octave toolbox for the discontinuous Galerkin method. Part I: Diffusion operator
    In: Computers & Mathematics with Applications 70 (2015), p. 11 - 46
    ISSN: 0898-1221
    DOI: 10.1016/j.camwa.2015.04.013
    URL: https://www1.am.uni-erlangen.de/research/publications/Jahr_2015/2015_FrankReuterAizingerKn_FestungAMatlabGnuPartIDiffusionOperator
    BibTeX: Download

2014

  • Brunner F., Frank F., Knabner P.:
    FV upwind stabilization of FE discretizations for advection-diffusion problems
    7th International Symposium on Finite Volumes for Complex Applications-Problems and Perspectives, FVCA7 (Berlin, 15-06-2014 - 20-06-2014)
    In: Fuhrmann Jürgen, Ohlberger Mario, Rohde Christian (ed.): Finite Volumes for Complex Applications VII-Methods and Theoretical Aspects 2014
    DOI: 10.1007/978-3-319-05684-5_16
    URL: https://www1.am.uni-erlangen.de/research/publications/Jahr_2014/2014_BrunnerFrankKn_FVUpwindStabOfFEForAdvancedDiffProblems
    BibTeX: Download

2012

  • Ray N., van Noorden T., Frank F., Knabner P.:
    Multiscale Modeling of Colloid and Fluid Dynamics in Porous Media Including an Evolving Microstructure
    In: Transport in Porous Media 95 (2012), p. 669-696
    ISSN: 0169-3913
    DOI: 10.1007/s11242-012-0068-z
    URL: https://www1.am.uni-erlangen.de/research/publications/Jahr_2012/2012_RayNoordenFrankKn_MultiscaleModelOfColloidAndFluidDynInPMinclAnEvolvMicrostr
    BibTeX: Download

2011

  • Frank F., Ray N., Knabner P.:
    Numerical investigation of homogenized Stokes-Nernst-Planck-Poisson systems
    In: Computing and Visualization in Science 14 (2011), p. 385-400
    ISSN: 1432-9360
    DOI: 10.1007/s00791-013-0189-0
    URL: https://www1.am.uni-erlangen.de/research/publications/Jahr_2011/2011_FrankRayKn_NumericalInvestiOfHomogeStokNernPlanPoissSystmes
    BibTeX: Download

2008

  • Knabner P., Frank F., Hoffmann J., Kräutle S., Oßmann S., Prechtel A.:
    Entwicklung, Zuverlässigkeit und Effizienz reaktiver Mehrkomponententransportmodelle
    In: KORA - Synopse "Systemanalyse, Modellierung und Prognose der Wirkungen natürlicher Schadstoffminderungsprozesse - eine rezente Synopse", 2008, p. 195-233 (Gemeinsame Mitteilungen des Dresdner Grundwasserforschungszentrum e.V. und seiner Partner, Vol.5)
    BibTeX: Download

Projects (CRIS feed)

  • Parallel mesh loading and partitioning for large-scale simulation

    (Third Party Funds Single)

    Term: since 01-01-2021
    Funding source: Bayerisches Staatsministerium für Wissenschaft und Kunst (StMWK) (seit 2018)
    URL: https://www.konwihr.de/
    →More information
  • The Influence of Colloids on Water Flow and Solute Transport in Soils: Side Effect or Key Process?

    (Third Party Funds Single)

    Term: 01-11-2006 - 31-12-2009
    Funding source: DFG-Einzelförderung / Sachbeihilfe (EIN-SBH)
    Abstract

    Soil colloids may influence the interaction between solutes and the immobile solid phase. A coupling to the fluid transport is possible by processes of sedimentation, flocculation, precipitation, filtration and deposition. The objective of this research project is the qualitative and quantitative examination of the crucial aspects of colloidal-influenced solute- and fluid transport by means of systematic, prognostic simulation. In detail,

    1. the attachment and detachment of colloids under consideration air-water interface of the soil,
    2. the transformation of the pore space and the thus induced coupling to the fluid transport in soil, and
    3. the transformation of the surface properties of the solid phase and the thus induced coupling to the solute transport

    have to be analyzed. The main hypothesis of this project states that the couplings incorporated in the model conception affect the praxis-relevant situations not only qualitatively, but also quantitatively in a significant way. The deterministic description of the physicochemical mechanisms on basis of the conservation laws for mass, impulse and energy results in systems of time-dependent non-linear partial differential equations. In order to make the model operative with respect to the problem formulation, one has to approximate it via numerical methods and to implement those in a software tool. For each level of complexity which has to be achieved, a comparison with existing experimental data has to be accomplished. In particular, these datasets have is to be used to obtain a realistic parametrization of the model via inverse modelling.

    →More information
  • Modelling of the reactive transport of contaminants in the (un-)saturated zone for the prognosis of natural attenuation

    (Third Party Funds Group – Sub project)

    Overall project: Kontrollierter natürlicher Rückhalt und Abbau von Schadstoffen bei der Sanierung kontaminierter Böden und Grundwässer (BMBF Förderschwerpunkt KORA)
    Term: 01-04-2004 - 31-12-2008
    Funding source: BMBF / Verbundprojekt
    Abstract

    The evaluation of the potential of contaminated sites concerning natural attenuation needs comprehensive process descriptions and accurate, reliable numerical algorithms. Numerical errors may lead to qualitatively completely wrong conclusions concerning the potential of the site for degradation. It has been developed a comprehensive and flexible simulation tool, that is outstanding concerning the variety of processes, the quality and efficiency of the calculations ensured by modern numerical methods as well as the usability. The existing software platform RICHY has been extended, which is already intensely and successfully used by universities, institutes and consultants for the simulation of reactive transport and parameter identification. Among previous modules for coupled sufactant transport, preferential, unsaturated flow or carrier facilitated transport the project could realize new model components that surpass most of all existing software packages. The extensions contain complete descriptions of microbially catalysed degradation with arbitrary reaction partners and inhibition, general multicomponent reactions including the effects of ionic strength, as well as mineral dissolution and precipitation. The efficient and highly accurate, newly developed mathematical solution algorithms for the resulting coupled systems of partial differential equations could show their quality in complex international benchmark studies. Locally mass conserving, mixed hybrid finite element discretisations of the flow problem have been combined with globally implicit, reactive multicomponent models. Novel reduction methods for the latter rely on the linear transformation of the equation systems and variables and lead to the consideration of conservation quantities which can be handled efficiently, as a part of the transport – reaction – equations decouples. Another approach that has been pursued simultaneously relies on a modified Newton method and results in efficiency enhancements by the neglection of coupling terms in the Jacobian matrix. This algorithm can be applied fully adaptively, in 1D as well as in 2D. Both approaches could be combined with adaptive techniques for the automatic, efficient choice of time steps and spatial grid sizes, which makes the calculation of these complex problems feasible on PCs.

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