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A Conservative Phase-Field Model for Reactive Transport

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Finite Volumes for Complex Applications IX - Methods, Theoretical Aspects, Examples (FVCA 2020)

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Abstract

We present a phase-field model for single-phase flow and reactive transport where ions take part in mineral precipitation/dissolution reactions. The evolving interface between fluid and mineral is approximated by a diffuse interface, which is modeled using an Allen–Cahn equation. As the original Allen–Cahn equation is not conservative, we apply a reformulation ensuring conservation of the phase-field variable and address the sharp-interface limit of the reformulated model. This model is implemented using a finite volume scheme and the discrete conservation of the reformulated Allen–Cahn equation is shown. Numerical examples show how the discrete phase-field variable is conserved up to the chemical reaction.

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References

  1. Allen, S.M., Cahn, J.W.: A microscopic theory for antiphase boundary motion and its application to antiphase domain coarsening. Acta Metall. 27(6), 1085–1095 (1979). https://doi.org/10.1016/0001-6160(79)90196-2

    Article  Google Scholar 

  2. Bringedal, C., von Wolff, L., Pop, I.S.: Phase field modeling of precipitation and dissolution processes in porous media: Upscaling and numerical experiments. Multiscale Model. Simul. http://www.uhasselt.be/Documents/CMAT/Preprints/2019/UP1901.pdf (2019)

  3. Caginalp, G., Fife, P.: Dynamics of layered interfaces arising from phase boundaries. SIAM J. Appl. Math. 48(3), 506–518 (1988). https://doi.org/10.1137/0148029

    Article  MathSciNet  Google Scholar 

  4. Chen, X., Hilhorst, D., Logak, E.: Mass conserving Allen-Cahn equation and volume preserving mean curvature flow. Interface Free. Bound 12, 527–549 (2010). https://doi.org/10.4171/IFB/244

  5. Eymard, R., Gallouët, T., Herbin, R.: Finite volume method, vol. 7. Elsevier, Amsterdam (2000)

    MATH  Google Scholar 

  6. List, F., Radu, F.A.: A study on iterative methods for solving Richards’ equation. Comput. Geosci. 20(2), 341–353 (2016). https://doi.org/10.1007/s10596-016-9566-3

    Article  MathSciNet  MATH  Google Scholar 

  7. Mu, X., Frank, F., Riviere, B., Alpak, F.O., Chapman, W.G.: Mass-conserved density gradient theory model for nucleation process. Ind. Eng. Chem. Res. 57(48), 16476–16485 (2018). https://doi.org/10.1021/acs.iecr.8b03389

    Article  Google Scholar 

  8. van Noorden, T.L.: Crystal precipitation and dissolution in a porous medium: effective equations and numerical experiments. Multiscale Model. Simul. 7(3), 1220–1236 (2009)

    Article  MathSciNet  Google Scholar 

  9. van Noorden, T.L., Eck, C.: Phase field approximation of a kinetic moving-boundary problem modelling dissolution and precipitation. Interface Free. Bound 13(1), 29–55 (2011). https://doi.org/10.4171/IFB/247

    Article  MathSciNet  MATH  Google Scholar 

  10. van Noorden, T.L., Pop, I.S.: A Stefan problem modelling crystal dissolution and precipitation. IMA J. Appl. Math. 73(2), 393–411 (2008). https://doi.org/10.1093/imamat/hxm060

    Article  MathSciNet  MATH  Google Scholar 

  11. Redeker, M., Rohde, C., Pop, I.S.: Upscaling of a tri-phase phase-field model for precipitation in porous media. IMA J. Appl. Math. 81(5), 898–939 (2016). https://doi.org/10.1093/imamat/hxw023

    Article  MathSciNet  MATH  Google Scholar 

  12. Rubinstein, J., Sternberg, P.: Nonlocal reaction-diffusion equations and nucleation. IMA J. Appl. Math. 48(3), 249–264 (1992). https://doi.org/10.1093/imamat/48.3.249

    Article  MathSciNet  MATH  Google Scholar 

  13. Schlögl, F.: Chemical reaction models for non-equilibrium phase transitions. Zeitschrift für Physik 253(2), 147–161 (1972). https://doi.org/10.1007/BF01379769

    Article  Google Scholar 

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Acknowledgements

The author would like to thank Florian Frank (FAU Erlangen-Nürnberg) for useful discussions on the phase-field formulation. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation—Flanders (FWO) and the Flemish Government—department EWI. Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)—Project Number 327154368—SFB 1313.

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Correspondence to Carina Bringedal .

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Bringedal, C. (2020). A Conservative Phase-Field Model for Reactive Transport. In: Klöfkorn, R., Keilegavlen, E., Radu, F.A., Fuhrmann, J. (eds) Finite Volumes for Complex Applications IX - Methods, Theoretical Aspects, Examples. FVCA 2020. Springer Proceedings in Mathematics & Statistics, vol 323. Springer, Cham. https://doi.org/10.1007/978-3-030-43651-3_50

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