Experimental study and Monte-Carlo simulation of the nucleation and growth processes during the dehydration of Li2SO4·H2O single crystals

Favergeon, Loïc; Pijolat, Michèle; Valdivieso, Françoise; Helbert, Céline

doi:10.1039/b507644g

Cited by 31 publications

(33 citation statements)

References 22 publications

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“…For a group of single crystals dehydrated in the same conditions of temperature and water vapor pressure, we obtained different values of isoconversion induction periods. According to our previous study [25], the kinetics of the growth process was characterized by a constant value of the areic reactivity of growth (φ, in mol.m -2 .s -1 ) due to constant temperature and water vapor pressure during the experiment. As a consequence, differences observed in the isoconversion induction periods, for same temperature and pressure conditions, were attributed to differences in the nucleation process, and more precisely in the dates of appearance of the first nucleus.…”

Section: Resultsmentioning

confidence: 99%

“…The kinetics of this reaction has been extensively studied on powders [11][12][13][14][15] or single crystals [16][17][18][19][20][21][22][23][24][25][26].…”

Section: Introductionmentioning

confidence: 99%

“…In a previous paper [25], we have presented a kinetic modeling of experimental data obtained with single crystals, based on Mampel's model assumptions [27,28] and Monte-Carlo calculations. The advantage of such a model was to provide a description of the nucleation and growth processes very near to the physical reality by taking into account the real shape and size of the single crystal, the nuclei appearance at random at its surface, and their inward isotropic growth.…”

Section: Introductionmentioning

confidence: 99%

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Influence of water vapor pressure on the induction period during Li2SO4·H2O single crystals dehydration

Favergeon

Pijolat

2011

Thermochimica Acta

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The dehydration of Li 2 SO 4 •H 2 O single crystals at 80°C has been studied by means of both isothermal thermogravimetry at 2.6, 3.6 and 4.6 hPa of water vapor and environmental scanning electron microscope. Thermogravimetric experiments allowed the determination of induction periods. Distributions of these isoconversion induction periods for a large number of single crystals showed that increasing the water vapor pressure produced a longer induction period. Moreover the shape of the distributions of the induction periods over a large number of single crystals changed from one mode at 2.6 hPa to two modes at 3.6 and 4.6 hPa. Using an environmental scanning electron microscope, this result could be attributed to differences in nucleation rates at edges and faces of the single crystals.

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Section: Resultsmentioning

confidence: 99%

“…The kinetics of this reaction has been extensively studied on powders [11][12][13][14][15] or single crystals [16][17][18][19][20][21][22][23][24][25][26].…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Influence of water vapor pressure on the induction period during Li2SO4·H2O single crystals dehydration

Favergeon

Pijolat

2011

Thermochimica Acta

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“…It was previously shown from the study of the dehydration of Li 2 SO 4 , H 2 O single crystals, whose nucleation frequency γ took quite different values even when they were placed in same temperature and water vapor pressure conditions [27]. The reason was precisely a great variability of the surface defects, however from a statistical point of view, due to a huge number of particles in a powder sample, the assumption of a nucleation frequency γ representative of the nucleation kinetics was found to be acceptable [28].…”

Section: Kinetic Model and Expression Of S M (T) Functionmentioning

confidence: 99%

Kinetic modeling of low temperature oxidation of copper nanoparticles by O2

2013

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International audienceThe mechanism and kinetics of copper nanoparticles oxidation at low temperature were investigated using thermogravimetry (TGA), differential scanning calorimetry (DSC), X-Ray diffraction (XRD) and transmission electron microscopy (TEM). Isothermal and isobaric studies of the oxidation reaction were carried out at various temperatures. It was found that working under an oxygen partial pressure of 1kPa in the temperature range 125 -145°C leads to reaction where nucleation of the oxide phase is in competition with its growth. The study of the dependency of the growth rate on the oxygen partial pressure under 10 kPa has shown the adsorption of oxygen at the surface of the oxide to be the rate-determining step. A mechanism and a kinetic model have been established to interpret the experimental curves

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“…1) is chosen as a representative reaction for comparative investigations. This single-step reaction is relatively simple and has extensively been studied for both powders [1][2][3][4][5] and single crystals [5][6][7][8][9][10][11][12][13][14][15][16][17][18][19], which makes it suitable for comparison. …”

Section: Introductionmentioning

confidence: 99%

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

Lan

Steenhoven

Rindt

2016

J Therm Anal Calorim

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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 ¼ k r L=ðD e c 0 Þ. 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 À8 m 2 s À1 . 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.

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Experimental study and Monte-Carlo simulation of the nucleation and growth processes during the dehydration of Li2SO4·H2O single crystals

Cited by 31 publications

References 22 publications

Influence of water vapor pressure on the induction period during Li2SO4·H2O single crystals dehydration

Influence of water vapor pressure on the induction period during Li2SO4·H2O single crystals dehydration

Kinetic modeling of low temperature oxidation of copper nanoparticles by O2

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

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