Modeling thermochemical reactions in thermal energy storage systems

Research output: Chapter in Book/Report/Conference proceedingChapterAcademicpeer-review

16 Citations (Scopus)


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
Number of pages41
ISBN (Electronic)9781782420965
ISBN (Print)9781782420880
Publication statusPublished - 10 Oct 2014


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


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