Water imbibition into nonpolar nanotubes with extended topological defects

Ramazani, Farzaneh; Ebrahimi, Fatemeh

doi:10.1016/j.chemphys.2016.07.015

Cited by 6 publications

(7 citation statements)

References 45 publications

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“…It can be seen from Figure 27 that when the parameters given in this paper change with temperature, the higher the injection temperature is, the more conducive it is to imbibition. We also found that under the actual complex pore throat connection, the imbibition phenomenon was not as apparent as the ideal model, which was similar to the conclusion obtained by Farzaneh Ramazari [48] using the molecular experiment method.…”

Section: Simulation Results and Analysis Of The Actual Examplesupporting

confidence: 87%

Phase-Field Simulation of Imbibition for the Matrix-Fracture of Tight Oil Reservoirs Considering Temperature Change

Jin

Cheng

Cao

et al. 2021

Water

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Injection water temperature is often different from that of the reservoir during water injection development in the tight reservoir. Temperature change causes different fluid properties and oil-water interface properties, which further affects the imbibition process. In this paper, a matrix-fracture non-isothermal oil-water imbibition flow model in tight reservoirs is established and solved by the finite element method based on the phase-field method. The ideal inhomogeneous rock structure model was used to study the influence of a single factor on the imbibition. The actual rock structure model was used to study the influence of temperature. The mechanism of temperature influence in the process of imbibition is studied from the micro-level. It is found that the imbibition of matrix-fracture is a process in which the water enters the matrix along with the small pores, and the oil is driven into the macropores and then into the fractures. Temperature affects the imbibition process by changing the oil-water contact angle, oil-water interfacial tension, and oil-water viscosity ratio. Reducing oil-water contact angle and oil-water viscosity ratio and increasing oil-water interfacial tension are conducive to the imbibition process. The increase in injection water temperature is usually beneficial to the occurrence of the imbibition. Moreover, the actual core structure imbibition degree is often lower than that of the ideal core structure. The inhomogeneous distribution of rock particles has a significant influence on imbibition. This study provides microscale theoretical support for seeking reasonable injection velocity, pressure gradient, injection temperature, and well-shutting time in the field process. It provides a reference for the formulation of field process parameters.

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Section: Simulation Results and Analysis Of The Actual Examplesupporting

confidence: 87%

Phase-Field Simulation of Imbibition for the Matrix-Fracture of Tight Oil Reservoirs Considering Temperature Change

Jin

Cheng

Cao

et al. 2021

Water

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“…89 Six single-wall SiCNTs of various diameters, lengths, and chiralities, namely, (9,2), (6,6), (8,4), (10,2), (10,3), and (11,2), were used with diameters that were, respectively, D = 10.07, 10.31, 10.5, 11.05, 11.70, and 12.3 Å, matching closely those of the CNTs used by Chiashi et al 70 The lengths of the SiCNTs were, in the same order as above, 330, 328, 322, 361, 382, and 350 Å. Two CNTs, (10,5) and (11,3), with diameters D = 10 and 10.3 Å and lengths = 326 and 338 Å were also used in the MD simulations to compare the decay of the HB correlation function (HBCF) in the two types of nanotubes, as described below.…”

Section: Molecular Models and Details Of The Computationsmentioning

confidence: 64%

“…The same peak in the (6,6) and (8,4) nanotubes develops before r = 5 Å. The (10,3) and (11,2) nanotubes also share a similar shape, as both produced a pentagonal ice. There is, however, a small third peak in the (10,3) nanotube, which is too small in the (11,2) nanotube.…”

Section: T H T H Hmentioning

confidence: 74%

“…The (10,3) and (11,2) nanotubes also share a similar shape, as both produced a pentagonal ice. There is, however, a small third peak in the (10,3) nanotube, which is too small in the (11,2) nanotube. This may be because some of the rings in the pentagonal ice formed in the (10,3) nanotube surround a central water molecule, possibly due to the space restrictions.…”

Section: T H T H Hmentioning

confidence: 90%

“…To fill up the nanotubes with water, we placed the (9,2), (6,6), and (8,4) SiCNTs and the two CNTs in individual boxes of linear dimension L = 400 Å, while the (10,2), (10,3) and (11,2) SiCNTs were placed in boxes with L = 450 Å. The boxes were prefilled with water such that the density, measured using the Voronoi tessellation method, was 1 g/cm 3 .…”

Section: Molecular Models and Details Of The Computationsmentioning

confidence: 99%

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Universal Intrinsic Dynamics and Freezing of Water in Small Nanotubes

Cobeña-Reyes

Sahimi

2020

J. Phys. Chem. C

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Although it is well known that confinement alters the freezing point of water, the mechanism by which this occurs, particularly in small nanotubes, is still under active research. It was recently claimed [Agrawal et al. Nat. Nanotechnol. 12, 2017, 267] that the freezing point of water in a carbon nanotube of a certain size may be as high as its boiling point under bulk conditions or even higher. A more recent paper [Chiashi et al. ACS Nano. 13, 2019, 1177 reported that the change in the freezing point may not be as drastic as what was claimed by Agrawal et al., and may in fact be close to the bulk freezing point. Thus, aside from the need to resolve the issue, an important question that arises is whether such a behavior is universal and may happen in any type of nanotube. In other words, can the interactions between water molecules and the wall atoms in other types of nanotube suppress this effect, or is this a universal feature occurring in every type of nanotube? In this paper, we address these issues by carrying out extensive molecular dynamics (MD) simulations and studying the dynamics of water in silicon carbide nanotubes. The results indicate that the melting point can be as much as 100 K lower than the bulk value. A comparison between the hydrogen-bond networks formed in carbon and silicon carbon nanotubes indicates that weaker HB networks are the main cause of the depression of the freezing point. Several types of ice, including those with trigonal, square, and pentagonal cross sections, are identified, each of which exhibits a different melting point that depends on the nanotube's diameter. The effect of the partial charges of the atoms of the nanotube's walls on the strength of the hydrogen-bond network was also studied. Larger partial charges lead to a more rapid decay of the hydrogen-bond correlation function, signaling a lower melting point.

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