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Geochemical Reaction ModelingConcepts and Applications$
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Craig M. Bethke

Print publication date: 1996

Print ISBN-13: 9780195094756

Published to Oxford Scholarship Online: November 2020

DOI: 10.1093/oso/9780195094756.001.0001

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Polythermal, Fixed, and Sliding Paths

Polythermal, Fixed, and Sliding Paths

Chapter:
12 Polythermal, Fixed, and Sliding Paths
Source:
Geochemical Reaction Modeling
Author(s):

Craig M. Bethke

Publisher:
Oxford University Press
DOI:10.1093/oso/9780195094756.003.0016

In this chapter we consider how to construct reaction models that are somewhat more sophisticated than those discussed in the previous chapter, including reaction paths over which temperature varies and those in which species activities and gas fugacities are buffered. The latter cases involve the transfer of mass between the equilibrium system and an external buffer. Mass transfer in these cases occurs at rates implicit in solving the governing equations, rather than at rates set explicitly by the modeler. In Chapter 14 we consider the use of kinetic rate laws, a final method for defining mass transfer in reaction models. Polythermal reactions paths are those in which temperature varies as a function of reaction progress, ξ. In the simplest case, the modeler prescribes the temperatures T0 and Tf at the beginning and end of the reaction path. The model then varies temperature linearly with reaction progress. This type of model is sometimes called a “sliding temperature” path. The calculation procedure for a sliding temperature path is straightforward. In taking a reaction step, the model evaluates the temperature to be attained at the step’s end.

Keywords:   "Flush" configuration, Albite, dissolution of, Deprotonation reactions, Fixed activity path, Fixed fugacity path, Fluid cooling, Ion pairing, Polythermal path, Sliding activity path, Speciation diagrams

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