Anomalous spontaneous capillary flow of water through graphene nanoslits: Channel width-dependent density

Wang, Ting-Ya; Chang, Hsin-Yu; He, Guan-Yu; Tsao, Heng Kwong; Sheng, Yu Jane

doi:10.1016/j.molliq.2022.118701

Cited by 11 publications

(5 citation statements)

References 51 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In figure 4(b), we show the data by Atlaschian et al [37] who employed molecular dynamics simulation to study flow of liquid Argon through nanochannels with height varying from 10 nm to 21 nm. Further, Figure 4: Comparison of the fitted slip-length using our proposed model with the data in the literature by [27], Yang and Zheng [23],Yen et al [22], Sofos et al [36], Atlaschian et al [37], and Sun et al [38].…”

Section: Slip Length Of Nanoconfined Fluid In the Nanochannelmentioning

confidence: 85%

“…The length of the channel was kept constant at 52 Å and height of the channel was varied between 10 Å to 15 Å. Neek-Amal et al [12] studied water flow through graphene nanochannel using MD simulations. The length and Figure 2: Comparison of the fitted density using our proposed model with the data in the literature by Kargar and Lohrasebi [24], [12], Radha et al [6],Wang et al [27], Ghorbanian et al [28], Mosaddeghi et al [29], Yousefi et al [30], Barisik and Beskok [31], and Barisik and Beskok [32].…”

Section: Density Of Nanoconfined Fluid In the Nanochannelmentioning

confidence: 86%

“…Further, Wang et al [27] studied water flow through graphene naochannels using MD simulations. The length and width of the channel were kept constant at 30 nm and 4.5 nm.…”

Section: Density Of Nanoconfined Fluid In the Nanochannelmentioning

confidence: 99%

“…Also, Yen et al [22] employed hybrid MD and continuum simulation to investigate Couette and Poiseuille flow for channel heights varying from 15 nm to 135 nm shown in figure 4(g) with red square symbols. Further, Wang et al [27] employed Molecular Dynamics (MD) simulations to explore spontaneous capillary flow of water through graphene nanoslits. Temperature was kept constant at 300 K. By performing NEMD for laminar flow in nanoslits with various channel widths, the slip length is found to decline with increasing H. The channel width was varied between 0.6 nm to 3.4 nm.…”

Section: Slip Length Of Nanoconfined Fluid In the Nanochannelmentioning

confidence: 99%

See 3 more Smart Citations

Heuristic Modeling of Material Properties in Nano/Angstrom-Scale Channels: Integrating Experimental Observations and MD Simulations

Mishra,

Garg

2024

Preprint

View full text Add to dashboard Cite

Nanofluidics, the study of fluids confined within nanoscale channels, holds immense potential for various applications. However, these fluids exhibit unique properties (density, viscosity, and slip length) that deviate from their bulk counterparts and critically impact flow dynamics. Understanding and characterizing these properties is essential for designing efficient nanofluidic systems. Traditionally, numerous models, often complex and disparate, have been used to describe these properties. The current abundance of models makes selecting the most suitable one for numerical simulations a challenging task. In this paper, we propose a simpler, unified framework: a single power-law model for each property such as for density $\displaystyle \rho(H)/\rho_o = 1+ m_1~H^{-n_1}$, viscosity $\displaystyle \eta(H)/\eta_o = 1+ m_2~H^{-n_2}$, and the slip length $\lambda(H) = \lambda_o + m_3~H^{-n_3}$ (where $m_1, m_2, m_3, n_1, n_2, n_3, \lambda_o$ are the free fitting parameters). This model effectively captures data from experiments and simulations, even where existing literature employed diverse models. A key advantage of our model lies in its mathematical properties. Continuity and a continuous derivative ensure seamless implementation into numerical simulations and theoretical predictions, leading to more understable, stable and accurate results. Additionally, the model adheres to physical principles, predicting convergence to bulk properties as channel size increases. Further this proposed unified power-law model for density, viscosity, and slip length compared to existing exponential models, offers flexibility where it captures non-linear relationships and diverse data curvatures. Interpretability with clear physical meaning for parameters. Adaptability to combine with other functions for complex phenomena. Simplicity for easy parameter estimation, model interpretation, and computations. Robustness and less sensitive to outliers and noise in data and with fewer parameters to easy relate to underlying physics and scaling-laws. Hence proposed model's simplicity, smoothness, physical validity and generality make it a significant heuristic model for efficient design and optimization of nanoscale devices using theory and simulations across a wide range of applications.

show abstract

Section: Slip Length Of Nanoconfined Fluid In the Nanochannelmentioning

confidence: 85%

Section: Density Of Nanoconfined Fluid In the Nanochannelmentioning

confidence: 86%

“…Further, Wang et al [27] studied water flow through graphene naochannels using MD simulations. The length and width of the channel were kept constant at 30 nm and 4.5 nm.…”

Section: Density Of Nanoconfined Fluid In the Nanochannelmentioning

confidence: 99%

Section: Slip Length Of Nanoconfined Fluid In the Nanochannelmentioning

confidence: 99%

See 2 more Smart Citations

Heuristic Modeling of Material Properties in Nano/Angstrom-Scale Channels: Integrating Experimental Observations and MD Simulations

Mishra,

Garg

2024

Preprint

View full text Add to dashboard Cite

show abstract

“…However, studies have also reported cases where the L–W equation is no longer valid, which usually involves the nanoscale flow. − Because the observation of fluid propagation in capillaries with radii in the sub-10 nm range is challenging to achieve, the simulation method, including MD, dissipative particle dynamics (DPD), and more generalized coarse-grained (CG) simulations, is often deployed to quantify the flow during SI in nanoporous media. For example, Chu et al observed unexpectedly fast water transport using DPD simulation in channels only 2–3 water molecules wide and attributed the breakdown of the L–W equation to the invalidity of the Young–Laplace equation associated with an undefined meniscus .…”

Section: Introductionmentioning

confidence: 99%

Coarse-Grained Molecular Dynamics Investigation on the Penetration Characteristics of Two-Phase Spontaneous Imbibition in Nanopores

Bai,

Liu,

Gao

et al. 2024

Energy Fuels

View full text Add to dashboard Cite

Spontaneous imbibition constitutes a major means for the development of unconventional reservoirs. An accurate description of the flow characteristics and a clear understanding of the underlying mechanisms are crucial for efficient oil production from such reservoirs. However, the Lucas–Washburn equation that is often used to model the spontaneous imbibition behavior in conventional rocks is no longer valid for porous media with nanoscale channels. In this work, molecular dynamics simulations were used to investigate the influencing factors of two-phase spontaneous imbibition in nanopores, and the advancement of the oil/water interface was fitted and compared against a series of modified Lucas–Washburn equations. The results show that the non-negligible flow resistance of the oil phase is mainly responsible for the failure of the Lucas–Washburn equation in the nanoscale and that the effective viscosity that scales with the flow rate, rather than the slip length and dynamic contact angle, is a more significant parameter that should be included in the Lucas–Washburn equation to better describe the simulation data. The insights obtained in this work provide guidance for a deeper understanding of two-phase spontaneous imbibition in unconventional reservoirs and are the prerequisite for the selection and design of the optimal fracturing fluids for field applications.

show abstract

Capillary flow in nanoporous media: effective Laplace pressure

He,

Tsao,

Sheng

2024

Colloids and Surfaces A: Physicochemical and Engineering Aspect

View full text Add to dashboard Cite

Anomalous spontaneous capillary flow of water through graphene nanoslits: Channel width-dependent density

Cited by 11 publications

References 51 publications

Heuristic Modeling of Material Properties in Nano/Angstrom-Scale Channels: Integrating Experimental Observations and MD Simulations

Heuristic Modeling of Material Properties in Nano/Angstrom-Scale Channels: Integrating Experimental Observations and MD Simulations

Coarse-Grained Molecular Dynamics Investigation on the Penetration Characteristics of Two-Phase Spontaneous Imbibition in Nanopores

Capillary flow in nanoporous media: effective Laplace pressure

Contact Info

Product

Resources

About