Mixing of nanofluids: molecular dynamics simulations and modelling

Hansen, Jesper Schmidt; Lemarchand, A.

doi:10.1080/08927020600823141

Cited by 3 publications

(3 citation statements)

References 18 publications

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“…It is noted that the brine salinity has no effect on the density distribution pattern of dissolved H 2 and CH 4 in the caprock water-saturated nanopores. However, it is worth mentioning that the inhomogeneity of the fluid as a result of the confinement may have an impact on the dynamic fluid properties, which may change the caprock leakage. , …”

Section: Resultsmentioning

confidence: 99%

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Molecular Simulation of H₂ Loss by Dissolution in Caprock Water-Saturated Nanopores under the Nanoconfinement Effect for Underground Hydrogen Storage

Zhang,

Luo,

Yang

et al. 2023

Energy Fuels

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Hydrogen has been regarded as an important clean energy source in recent years. The depleted reservoir has been recognized as an economic geological site for hydrogen storage as a result of its large storage capacity. However, the caprock sealing safety of the reservoir must be considered before underground hydrogen storage. To investigate the hydrogen loss in the caprock, we have studied the H 2 dissolution in the caprock water-saturated kaolinite nanopores using molecular simulations in this work. The H 2 /CH 4 mixture dissolution in the caprock nanopores was also studied to investigate the effect of the CH 4 cushion gas on the H 2 dissolution. The results showed that the H 2 dissolution can increase by up to 27 times the bulk solubility under the impact of nanoconfinement enhancement, and the gas loss through the caprock is mainly by the smaller water-saturated pores. The maximum solubility of H 2 and CH 4 occurs at the 0.55 and 0.6 nm pores, respectively. For the 0.5−0.55 nm pores, the dissolved H 2 density exceeds CH 4 at the H 2 fraction above 50%. As the pore size increases to 2.0 nm, the H 2 and CH 4 solubility is comparable as the nanopore confinement effect gradually becomes weak. However, as the H 2 fraction increases to 80%, the H 2 dissolution dominates over CH 4 , even in the 2.0 nm pore. With the increase of the pore size, the water molecules gradually occupy the strong adsorption sites near the surfaces; thus, the gas molecules start to accumulate in the pore middle. The cushion gas of CH 4 adopts various molecular angles in the pores, which are 50°and 130°in the 0.55 nm pore and tripod and inclined angles of 70°and 110°in the 1.0 nm pore. However, the dissolved H 2 molecules are always perpendicular toward the pore surface, which is not affected by the pore size and water molecules. Under the influence of brine, the solubility of H 2 and CH 4 decreases and the impact of brine is more noticeable in larger pores. The high brine salinity helps to reduce the H 2 loss in the caprock nanopores.

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Section: Resultsmentioning

confidence: 99%

“…However, it is worth mentioning that the inhomogeneity of the fluid as a result of the confinement may have an impact on the dynamic fluid properties, which may change the caprock leakage. 7,57…”

Section: Molecular Configurations Of Dissolved H 2 and Chmentioning

confidence: 99%

Molecular Simulation of H₂ Loss by Dissolution in Caprock Water-Saturated Nanopores under the Nanoconfinement Effect for Underground Hydrogen Storage

Zhang,

Luo,

Yang

et al. 2023

Energy Fuels

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“…These facts have motivated many scientific contributions, both theoretical and numerical [1,2,3,4,5,6,7,8,9,10,11]. In particular, theoretical works and numerical simulations can provide some guidance in experimental studies and design of many devices, and can help to predict the acoustic behaviour in many systems.…”

Section: Introductionmentioning

confidence: 99%

Hydrodynamic Analysis of Sound Wave Propagation in a Reactive Mixture Confined Between Two Parallel Plates

Kalempa

Silva

Soares

2018

Springer Proceedings in Mathematics &Amp; Statistics

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The aim of this work is to study the problem of sound wave propagation through a binary mixture undergoing a reversible chemical reaction of type A + A B + B, when the mixture is confined between two flat, infinite and parallel plates. One plate is stationary, whereas the other oscillates harmonically in time and constitutes an emanating source of sound waves that propagate in the mixture. The boundary conditions imposed in our problem correspond to assume that the plates are impenetrable and that the mixture chemically react at the surface plates, reaching the chemical equilibrium instantaneously. The reactive mixture is described by the Navier-Stokes equations derived from the Boltzmann equation in a chemical regime for which the chemical reaction is in its final stage. Explicit expressions for transport coefficients and chemically production rates are supplemented by the kinetic theory. Starting from this setting, we study the dynamics of the sound waves in the reactive mixture in the low frequency regime and investigate the influence of the chemical reaction on the properties of interest in the considered problem. We then compute the amplitude and phase profiles of the relevant macroscopic quantities, showing how they vary in the reactive flow between the plates in dependence on several factors, as the chemical activation energy, concentration of products and reactants, as well as oscillation speed parameter.

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Study of acoustic wave propagation in micro- and nanochannels

et al. 2018

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Mixing of nanofluids: molecular dynamics simulations and modelling

Cited by 3 publications

References 18 publications

Molecular Simulation of H₂ Loss by Dissolution in Caprock Water-Saturated Nanopores under the Nanoconfinement Effect for Underground Hydrogen Storage

Molecular Simulation of H₂ Loss by Dissolution in Caprock Water-Saturated Nanopores under the Nanoconfinement Effect for Underground Hydrogen Storage

Hydrodynamic Analysis of Sound Wave Propagation in a Reactive Mixture Confined Between Two Parallel Plates

Study of acoustic wave propagation in micro- and nanochannels

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Mixing of nanofluids: molecular dynamics simulations and modelling

Cited by 3 publications

References 18 publications

Molecular Simulation of H2 Loss by Dissolution in Caprock Water-Saturated Nanopores under the Nanoconfinement Effect for Underground Hydrogen Storage

Molecular Simulation of H2 Loss by Dissolution in Caprock Water-Saturated Nanopores under the Nanoconfinement Effect for Underground Hydrogen Storage

Hydrodynamic Analysis of Sound Wave Propagation in a Reactive Mixture Confined Between Two Parallel Plates

Study of acoustic wave propagation in micro- and nanochannels

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Molecular Simulation of H₂ Loss by Dissolution in Caprock Water-Saturated Nanopores under the Nanoconfinement Effect for Underground Hydrogen Storage

Molecular Simulation of H₂ Loss by Dissolution in Caprock Water-Saturated Nanopores under the Nanoconfinement Effect for Underground Hydrogen Storage