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Chemical Reaction

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Abstract

The quantities r k α, R k α, R k , \(\tilde{R}_{k}\), \(\bar{R}_{k}\) or \(\bar{\tilde{R}}_{k}\) that appear in the species mass transport equations (3.50), (3.51), (3.248) and (4.71) and those of Tables 3.5, 3.7, 3.9 3.11 and 4.6 represent rates of production of mass of chemical species k due to chemical reactions occurring within a phase α, termed as homogeneous reactions, or between two or more phases, termed as heterogeneous reactions.

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Notes

  1. 1.

    Referring to radioactive decay processes the decay rate \(\vartheta _{k}\) is frequently expressed in terms of a reaction half-life t 1∕2k of species k, which is a specific solution of the reaction equation

    $$\displaystyle{\frac{dC_{k}} {\mathit{dt}} = -\vartheta _{k}C_{k}}$$

    applied to a simple chemical batch reaction (without diffusion/dispersion and advection). Its analytical solution yields

    $$\displaystyle{C_{k} = C_{0k}{e}^{-\vartheta _{k}t}}$$

    The time t for the concentration C k to decrease from the initial concentration C 0k to its half value \(\tfrac{1} {2}C_{0k}\) corresponds to the half-life t 1∕2. From above it results

    $$\displaystyle{t_{1/2k} = \frac{\ln 2} {\vartheta _{k}}}$$

    where ln2 = 0. 693 is the natural logarithm of 2. Accordingly, the decay rate \(\vartheta _{k}\) can be expressed by

    $$\displaystyle\begin{array}{rcl} \vartheta _{k} = \frac{\ln 2} {t_{1/2k}}& & {}\\ \end{array}$$

    where the half-life t 1∕2k has to be specified for a given (radioactive) species k.

  2. 2.

    Considering the Michaelis-Menten reaction rate in the form \(\hat{R}_{A} = v_{m}C_{A}^{l}/(K_{m} + C_{A}^{l})\):

    1. (i)

      If C A l is large compared to K m then \(C_{A}^{l}/(K_{m} + C_{A}^{l}) \approx 1\) and the reaction rate becomes

      $$\displaystyle{\hat{R}_{A} \approx v_{m}}$$
    2. (ii)

      If \(C_{A}^{l} = K_{m}\) then \(C_{A}^{l}/(K_{m} + C_{A}^{l}) = \tfrac{1} {2}\) and the reaction rate gives

      $$\displaystyle{\hat{R}_{A} = \tfrac{1} {2}v_{m}}$$
    3. (iii)

      If If C A l is small compared to K m then \(C_{A}^{l}/(K_{m} + C_{A}^{l}) \approx C_{k}^{l}/K_{m}\) and it is

      $$\displaystyle{\hat{R}_{A} = \frac{v_{m}} {K_{m}}C_{k}^{l}}$$

References

  1. Atkins, P.: Physical Chemistry, 5th edn. Oxford University Press, Oxford (1994)

    Google Scholar 

  2. Bear, J., Cheng, A.D.: Modeling Groundwater Flow and Contaminant Transport. Springer, Dordrecht (2010)

    Book  Google Scholar 

  3. Bear, J., Verruijt, A.: Modeling Groundwater Flow and Pollution. D. Reidel, Dordrecht (1987)

    Book  Google Scholar 

  4. Clement, T.: RT3D – a modular computer code for simulating reactive multi-species transport in 3-dimensional groundwater systems. Technical report PNNL-11720, Pacific Northwest National Laboratory, Richland (1997)

    Google Scholar 

  5. Clement, T., Sun, Y., Hooker, B., Petersen, J.: Modeling multi-species reactive transport in groundwater aquifers. Groundw. Monit. Remediat. J. 18(2), 79–92 (1998)

    Article  Google Scholar 

  6. Garcia-Talavera, M., Laedermann, J., Decombaz, M., Daza, M., Quintana, B.: Coincidence summing corrections for the natural decay series in γ-ray spectrometry. J. Radiat. Isot. 54, 769–776 (2001)

    Article  Google Scholar 

  7. Jourde, H., Cornaton, F., Pistre, S., Bidaux, P.: Flow behavior in a dual fracture network. J. Hydrol. 266(1–2), 99–119 (2002)

    Article  Google Scholar 

  8. Lichtner, P.: Continuum formulation of multicomponent-multiphase reactive transport. In: Lichtner, P., et al. (eds.) Reactive Transport in Porous Media. Reviews in Mineralogy, vol. 34, pp. 1–81. Mineralogical Society of America, Washington, DC (1996)

    Google Scholar 

  9. Nguyen, V., Gray, W., Pinder, G., Botha, J., Crerar, D.: A theoretical investigation on the transport of chemicals in reactive porous media. Water Resour. Res. 18(4), 1149–1156 (1982)

    Article  Google Scholar 

  10. Pinder, G., Gray, W.: Essentials of Multiphase Flow and Transport in Porous Media. Wiley, Hoboken (2008)

    Book  Google Scholar 

  11. Rifai, S., Newell, C., Miller, C., Taffinder, S., Rounsaville, M.: Simulation of natural attenuation with multiple electron acceptors. Bioremediation 3(1), 53–58 (1995)

    Google Scholar 

  12. Stumm, W., Morgan, J.: Aquatic Chemistry. Wiley-Interscience, New York (1981)

    Google Scholar 

  13. Volocchi, A., Street, R., Roberts, P.: Transport of ion-exchanging solutes in groundwater: chromatographic theory and field simulation. Water Resour. Res. 17(5), 1517–1527 (1981)

    Article  Google Scholar 

  14. Wilkinson, F.: Chemical Kinetics and Reaction Mechanisms. Van Nostrand Reinhold, New York (1980)

    Google Scholar 

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Diersch, HJ.G. (2014). Chemical Reaction. In: FEFLOW. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-38739-5_5

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