Modeling thermochemical reactions in thermal energy storage systems

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Abstract

The focus of this chapter is mainly on molecular modeling techniques for the hydration and dehydration (sorption and desorption) processes occurring in salt hydrates at the nano-scale. Modeling techniques such as density function theory, molecular dynamics and monte carlo are briefly introduced. Some attention is also given to micro- and macro-scale modeling techniques used at larger length scales, such as Mampel's model and the continuum approach. Before introducing all the length (and time) scales involved when modeling a heat storage system, a qualitative description is given of the hydration and dehydration processes on the nano/micro-scale.

Original languageEnglish
Title of host publicationAdvances in Thermal Energy Storage Systems
Subtitle of host publicationMethods and Applications
Place of PublicationAmsterdam
PublisherElsevier
Pages375-415
Number of pages41
ISBN (Electronic)9781782420965
ISBN (Print)9781782420880
DOIs
Publication statusPublished - 10 Oct 2014

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Keywords

  • Continuum modeling
  • Density function theory
  • Heat and mass transfer
  • Mampel's approach
  • Molecular dynamics

Cite this

Rindt, C. C. M., & Gaastra-Nedea, S. V. (2014). Modeling thermochemical reactions in thermal energy storage systems. In Advances in Thermal Energy Storage Systems: Methods and Applications (pp. 375-415). Amsterdam: Elsevier. https://doi.org/10.1533/9781782420965.3.375