NDLI: An experimentally validated numerical model of interface advance of the lithium sulfate monohydrate dehydration reaction

Content Provider	Springer Nature Link
Author	Lan, Shuiquan Zondag, Herbert Steenhoven, Anton Rindt, Camilo
Copyright Year	2015
Abstract	Interface advance plays an essential role in understanding the kinetics and mechanisms of thermal decomposition reactions such as the dehydration reaction of lithium sulfate monocrystals. However, many fundamental processes including mass transfer during interface advance are still not clear. In this work, the dynamics of interface advance, involving interaction between interfacial reaction and mass diffusion, is investigated numerically together with microscopy observations. A mathematical model is developed for interface advance with a moving boundary and then solved by using a conservative scheme. To examine the significance between the intrinsic chemical reaction and mass diffusion, a Damköhler number is defined as $$Da=k_{{\rm r}}L/(D_{{\rm e}} c_{0})$$ . Numerical results at various Da values are discussed to distinguish the limiting step of the dehydration reaction of lithium sulfate monocrystals. Moreover, experiments are carried out with a hot-stage microscopy system where the propagation of the reaction interface into the crystal bulk is followed in situ. By fitting the experimental results with the numerical results, the effective diffusivity of water through the dehydrated crystal is estimated to be in the order of $$10^{-8}\,\hbox {m}^2\,\hbox {s}^{-1}$$ . According to the corresponding Da values, it is found that, within the reaction temperature ranging from 110 to 130 °C and a partial water vapor pressure of 13 mbar, the rate of dehydration interface advance in the bulk of large crystals (typically in the order of millimeters) is not constant, but shows a small decrease over time due to the influence of mass diffusion.
Starting Page	1109
Ending Page	1118
Page Count	10
File Format	PDF
ISSN	13886150
Journal	Journal of thermal analysis
Volume Number	124
Issue Number	2
e-ISSN	15882926
Language	English
Publisher	Springer Netherlands
Publisher Date	2016-01-05
Publisher Place	Dordrecht
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Interface advance Lithium sulfate monocrystals Thermal dehydration Sharp interface model Microscopic observation Physical Chemistry Analytical Chemistry Polymer Sciences Inorganic Chemistry Measurement Science and Instrumentation
Content Type	Text
Resource Type	Article
Subject	Physical and Theoretical Chemistry Condensed Matter Physics

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