Reactive Grand-Canonical Monte Carlo Simulations for Modeling Hydration of MgCl2

Koen Heijmans,Ionut Tranca,Ming-Wen Chang,Thijs J. H. Vlugt,Silvia V. Gaastra-Nedea,David Smeulders

Reactive Grand-Canonical Monte Carlo Simulations for Modeling Hydration of MgCl2

2021

Koen Heijmans
Ionut Tranca
Ming-Wen Chang
Thijs J. H. Vlugt
Silvia V. Gaastra-Nedea
David Smeulders

Thermochemical heat-storage applications, based on the reversible endo-/exothermic hydration reaction of salts, are intensively investigated to search for compact heat-storage devices. To achieve a...

Keywords:

Materials science
Thermodynamics
grand canonical monte carlo
Hydration reaction
Exothermic reaction

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