Condensation in One-Dimensional Dead-End Nanochannels

Zhong, Junjie; Zandavi, Seyed Hadi; Li, Huawei; Bao, Bo; Persad, Aaron H.; Mostowfi, Farshid

doi:10.1021/acsnano.6b05666

Cited by 53 publications

(41 citation statements)

References 57 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…We let the extra water on both sides of the membrane to evaporates for 30 min. Due to the wetting characteristics of water, water droplet adopts high negative pressure in the pore 35 , 61 . In the next step, both reservoirs were filled with octane to confine the water droplet in the nanopores.…”

Section: Methodsmentioning

confidence: 99%

“…These include nanostructured surfaces [18][19][20] , slippery liquid-infused porous surfaces 21,22 , magnetic slippery surfaces 23 , and even anti-frosting [24][25][26][27][28] surfaces. Furthermore, confinement effects could drastically affect the phase-change phenomenon in membrane 29 , porous material [30][31][32][33] , nanochannels 34,35 , and carbon nanotubes 36,37 . However, direct probing of water-ice phase transformation in a few nanometer scales in heterogeneous environments has been challenging: nanoscopic water droplets could evaporate or grow by condensation extremely fast (i.e., order of 10 −35 s) 38 .…”

mentioning

confidence: 99%

See 1 more Smart Citation

Freezing of few nanometers water droplets

et al. 2021

View full text Add to dashboard Cite

Water-ice transformation of few nm nanodroplets plays a critical role in nature including climate change, microphysics of clouds, survival mechanism of animals in cold environments, and a broad spectrum of technologies. In most of these scenarios, water-ice transformation occurs in a heterogenous mode where nanodroplets are in contact with another medium. Despite computational efforts, experimental probing of this transformation at few nm scales remains unresolved. Here, we report direct probing of water-ice transformation down to 2 nm scale and the length-scale dependence of transformation temperature through two independent metrologies. The transformation temperature shows a sharp length dependence in nanodroplets smaller than 10 nm and for 2 nm droplet, this temperature falls below the homogenous bulk nucleation limit. Contrary to nucleation on curved rigid solid surfaces, ice formation on soft interfaces (omnipresent in nature) can deform the interface leading to suppression of ice nucleation. For soft interfaces, ice nucleation temperature depends on surface modulus. Considering the interfacial deformation, the findings are in good agreement with predictions of classical nucleation theory. This understanding contributes to a greater knowledge of natural phenomena and rational design of anti-icing systems for aviation, wind energy and infrastructures and even cryopreservation systems.

show abstract

Section: Methodsmentioning

confidence: 99%

mentioning

confidence: 99%

Freezing of few nanometers water droplets

et al. 2021

View full text Add to dashboard Cite

show abstract

“…Phase alteration is a commonly encountered phenomenon in many engineering applications and natural processes in underground reservoir systems or synthetic porous media. − These include CO 2 sequestration, conventional and unconventional oil and gas production, geothermal systems, waste deposition, and synthetic porous systems such as filters. Throughout the primary production period of oil or gas, the decline of reservoir pressure leads to the vaporization of hydrocarbons, starting from the lighter components.…”

Section: Introductionmentioning

confidence: 99%

Propagation and Entrapment of Hydrocarbons in Porous Media under Capillarity Controlled Phase-Alteration Conditions: A Visual Microfluidics Analysis

Al-Kindi

Babadagli

2021

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

The displacement characteristics of gas–liquid systems in capillary media under nonisothermal and nonisobaric conditions are controlled by capillarity as phase alteration (specifically vaporization) starts earlier in smaller (nano)capillaries compared to the larger ones. For an accurate modeling of these types of natural and engineered processes, this thermodynamically dictated displacement process should be well understood. With this aim, the capillarity effect on phase change and the displacement dynamics of hydrocarbon liquids in homogeneous and heterogenous silicate microfluidics chips was studied. It was observed that the boiling temperatures of pentane, a pentane–heptane mixture, and a pentane–heptane–octane mixture were 1.6–6.9% lower than bulk measurements due to confinement effects, and the early vaporization had a significant influence on the vapor displacement process. In homogeneous (uniform capillary pressure distribution) porous media, the consistency of capillary pressure resulted in a uniform and quicker propagation/displacement of vapor. However, in the media with variable capillary pressure (heterogeneous pore structure), the vapor’s flow tended to take place nonuniformly along the system, thus leading to a major gas fingering and gas-flow restriction. The presence of otherheaviercomponents (liquid phase) in the porous medium developed an excessive barrier against the vapor’s flow throughout the pore channels that was specifically caused by the viscous forces of the liquids. Moreover, it was observed that the existence of liquids with high boiling points contribute to slowing the vapor propagation of the lighter components, and the gas displacement becomes slower as the density and viscosity of the liquid-phase components increases.

show abstract

“…MD simulations have provided new insights about the confinement effect on the phase properties of hydrocarbons, showing how nanoconfinement affected condensation conditions in nanopores 30 . In the context of fluid flow, it has been reported flow enhancement under confinement due to slip flow at the solid boundary 31 .…”

Section: Introductionmentioning

confidence: 99%

Modeling Nanoconfinement Effects Using Active Learning

Santos

Mehana

et al. 2020

J. Phys. Chem. C

View full text Add to dashboard Cite

Predicting the spatial configuration of gas molecules in nanopores of shale formations is crucial for fluid flow forecasting and hydrocarbon reserves estimation. The key challenge in these tight formations is that the majority of the pore sizes are less than 50 nm. At this scale, the fluid properties are affected by nanoconfinement effects due to the increased fluid-solid interactions. For instance, gas adsorption to the pore walls could account for up to 85% of the total hydrocarbon volume in a tight reservoir. Although there are analytical solutions that describe this phenomenon for simple geometries, they are not suitable for describing realistic pores, where surface roughness and geometric anisotropy play important roles. To describe these, molecular dynamics (MD) simulations are used since they consider fluid-solid and fluid-fluid interactions at the molecular level. However, MD simulations are computationally expensive, and are not able to simulate scales larger than a few connected nanopores. Alternatively, mesoscale simulation methods that handle larger domains with complex pore geometries (i.e. the lattice-Boltzmann method) cannot directly account for nanoconfinement effects, resulting in grossly inaccurate predictions. To incorporate these effects into larger domains with complex geometries, it is necessary to accelerate the computation. We present a method for building and training physics-based deep learning surrogate models to carry out fast and accurate predictions of molecular configurations of gas inside nanopores. Since training deep learning models requires extensive databases that are computationally expensive to create, we employ active learning (AL). AL reduces the overhead of creating comprehensive sets of high-fidelity data by determining where the model uncertainty is greatest, and running simulations on the fly to minimize it. The proposed workflow enables nanoconfinement effects to be rigorously considered at the mesoscale where complex connected sets of nanopores control key applications such as hydrocarbon recovery and CO2 sequestration.

show abstract

Condensation in One-Dimensional Dead-End Nanochannels

Cited by 53 publications

References 57 publications

Freezing of few nanometers water droplets

Freezing of few nanometers water droplets

Propagation and Entrapment of Hydrocarbons in Porous Media under Capillarity Controlled Phase-Alteration Conditions: A Visual Microfluidics Analysis

Modeling Nanoconfinement Effects Using Active Learning

Contact Info

Product

Resources

About