Modeling thermochemical reactions in thermal energy storage systems

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

7 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

Fingerprint Dive into the research topics of 'Modeling thermochemical reactions in thermal energy storage systems'. Together they form a unique fingerprint.

Cite this