The effect of number of nanoparticles on atomic behavior and aggregation of CuO/water nanofluid flow in microchannels using molecular dynamics simulation

Review Chemistry, Physical

A systematic and critical review of application of molecular dynamics simulation in low salinity water injection

Mehdi Ghasemi et al.

Summary: Low Salinity Water Injection (LSWI) has been a well-researched EOR method, with complexity arising from investigation scale and Molecular Dynamics (MD) simulation being used as a research tool.

ADVANCES IN COLLOID AND INTERFACE SCIENCE (2022)

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Article Thermodynamics

Experimental Investigation of Stability, Properties and Thermo-rheological Behaviour of Water-Based Hybrid CuO and Fe3O4 Nanofluids

Nikhil S. Mane et al.

Summary: This study explores the effect of surfactant on the stability of hybrid nanofluids. The thermal, rheological, and thermo-rheological performance of the most stable nanofluid samples are studied in detail. The results show that the type of surfactant utilized plays a crucial role in the stability of nanofluids, and the CuO-water nanofluid exhibits the highest enhancement in thermal conductivity.

INTERNATIONAL JOURNAL OF THERMOPHYSICS (2022)

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Article Chemistry, Physical

The computational study of microchannel thickness effects on H2O/CuO nanofluid flow with molecular dynamics simulations

Yanpeng Shang et al.

Summary: This paper describes the atomic behavior of H2O-CuO nanofluid inside a Pt microchannel using Molecular Dynamics simulation. The simulation results show that the thickness of the microchannel is an important parameter for the flow of nanofluid, affecting the aggregation time and energy of nanoparticles. Furthermore, the simulations indicate that increasing the microchannel thickness increases the adsorption force between Pt atoms and nanofluid particles.

JOURNAL OF MOLECULAR LIQUIDS (2022)

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Article Engineering, Chemical

Thermal performance and entropy generation for nanofluid jet injection on a ribbed microchannel with oscillating heat flux: Investigation of the first and second laws of thermodynamics

Yu-Liang Sun et al.

Summary: In this numerical study, the forced flow and heat transfer of water/Nitrogen-doped graphene (NDG) nanofluid in a two-dimensional microchannel under different nanoparticles mass fractions and Reynolds numbers were simulated. The results show that increasing the Reynolds number, nanoparticles mass fraction, and attack angle of rib leads to an increase in pressure drop. The increase in fluid viscosity enhances momentum depreciation of fluid colliding with microchannel surfaces. The effect of attack angle of rib becomes more significant at higher Reynolds numbers.

CHINESE JOURNAL OF CHEMICAL ENGINEERING (2022)

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Article Chemistry, Physical

The computational study of nanoparticles shape effects on thermal behavior of H2O-Fe nanofluid: A molecular dynamics approach

Yunhong Shi et al.

Summary: In this study, Molecular Dynamics (MD) is used to investigate the atomic and thermal performance of H2O/Fe nanofluid by inserting Fe nanoparticles with various shapes into H2O molecules. The results show that spherical nanoparticles have a significant impact on the behavior of the nanofluid.

JOURNAL OF MOLECULAR LIQUIDS (2022)

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Article Chemistry, Multidisciplinary

A High Thermal Conductivity of MgO-H2O Nanofluid Prepared by Two-Step Technique

Hadia Kadhim Judran et al.

Summary: This study aims to investigate the impact of nanopowder volume concentration and ultrasonication treatment time on the stability and thermophysical properties of MgO-DW nanofluid at room temperature. The results show that nanofluid exhibits good stability and enhanced thermal conductivity at an appropriate concentration and treatment time. These findings suggest that MgO-DW nanofluid has the potential to be used as an advanced heat transfer fluid in cooling systems and heat exchangers.

APPLIED SCIENCES-BASEL (2022)

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Article Construction & Building Technology

Performance assessment of an inclined stepped solar still integrated with PCM and CuO/GO nanocomposite as a nanofluid

Habib Ajdari et al.

Summary: The study found that the use of nanocomposite CuO/GO can increase the water yield of solar stills. Additionally, adjusting the brine flow rate and applying paraffin wax as a phase change material both have an impact on the distillate yield.

JOURNAL OF BUILDING ENGINEERING (2022)

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Article Thermodynamics

Heat transfer in a square cavity filled by nanofluid with sinusoidal wavy walls at different wavelengths and amplitudes

Mohammad Sharif Zarei et al.

Summary: The main purpose of this study is to investigate the wavy wall effect caused by a sinusoidal function in a two-dimensional natural convection cavity with Cu-Water nanofluid. Through numerical simulation and statistical analysis, it was found that the volume fraction of nanoparticles plays the most important role in heat transfer, with a significant improvement in heat transfer efficiency as the volume fraction increases, while the wall wavelength has a minor effect on heat transfer.

CASE STUDIES IN THERMAL ENGINEERING (2022)

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Article Engineering, Multidisciplinary

Molecular dynamics simulation of phase transition procedure of water-based nanofluid flow containing CuO nanoparticles

Yonggui Wang et al.

Summary: This study investigates the impact of CuO nanoparticles on the atomic conduct and phase transition duration of water-based fluid in a nanochannel. The results indicate that adding CuO nanoparticles reduces the phase transition duration, and the effect becomes more pronounced with increasing nanoparticle length.

ALEXANDRIA ENGINEERING JOURNAL (2022)

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Article Chemistry, Multidisciplinary

Experimental Investigation of Thermal Conductivity of Water-Based Fe3O4 Nanofluid: An Effect of Ultrasonication Time

Divya P. Barai et al.

Summary: This work investigates the influence of ultrasonication duration on the thermal conductivity of Fe3O4 nanofluid. The results show that ultrasonication can increase the thermal conductivity of the nanofluid up to a certain duration, after which it starts to deteriorate. Additionally, the concentration of the nanofluid also affects the thermal conductivity, but the optimum ultrasonication time is the same for different concentrations.

NANOMATERIALS (2022)

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Article Chemistry, Physical

Molecular dynamics simulation the effect of initial pressure on the phase transition performance of coated AlH3 nanoparticles in the presence of an oxygenated medium

Shanshan Jiang et al.

Summary: In this study, molecular dynamics simulation is used to investigate the combustion behavior of ethanol-coated aluminium hydride nanoparticles in an oxygenated medium. The presence of ethanol coating reduces the combustion process, while increasing the initial pressure affects the combustion behavior. Different potential functions are explored in the simulation, showing varying effects on the combustion process.

JOURNAL OF MOLECULAR LIQUIDS (2022)

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Article Thermodynamics

Potential energy and atomic stability of H2O/CuO nanoparticles flow and heat transfer in non-ideal microchannel via molecular dynamic approach: the Green-Kubo method

Yuanzhou Zheng et al.

Summary: The study investigated the effects of nanoparticle number and temperature on the thermal conductivity and atomic structures of H2O/CuO nanofluid in a non-ideal microchannel. The simulation results showed that both nanoparticle number and temperature play crucial roles in the dynamic properties and thermal conductivity of the nanofluid system in a microchannel.

JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY (2021)

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Article Chemistry, Physical

CuO-containing oil-based nanofluids for concentrating solar power: An experimental and computational integrated insight

Estefania Torres et al.

Summary: The study focused on utilizing CuO nanoparticles to improve the thermal properties of heat transfer fluids in CSP plants. Nanofluids prepared with lower sonication energy values demonstrated the highest stability, a 10% increase in heat transfer coefficient, and improvements in isobaric specific heat and thermal conductivity. Molecular dynamics simulations were used to analyze the enhanced thermal conductivity and the formation of a semi-rigid layer which could explain the increase in isobaric specific heat.

JOURNAL OF MOLECULAR LIQUIDS (2021)

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Article Engineering, Chemical

Characterization of a New Structured Packing by Computational Fluid Dynamics

Amin Hassanvand et al.

Summary: The novel wire gauze structured packing PACK-1300Y with high specific surface area was characterized by computational fluid dynamics, focusing on dry and wet pressure drop as well as the height equivalent to a theoretical plate (HETP). The flow structure of this packing was described via numerical simulations and compared to experimental findings to determine average relative errors.

CHEMICAL ENGINEERING & TECHNOLOGY (2021)

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Article Thermodynamics

Direct effect of nanoparticles on the thermal conductivity of CuO-water nanofluid in a phase transition phenomenon using molecular dynamics simulation

Mahdi Ghasemi et al.

Summary: The addition of CuO nanoparticles into water increases the thermal conductivity of nanofluid, with larger nanoparticle size leading to higher thermal conductivity and faster phase transition.

JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY (2021)

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Article Chemistry, Physical

Determination of heat transport mechanism using nanoparticle property and interfacial nanolayer in a nanofluidic system

Yuling Zhai et al.

Summary: Understanding the thermal transport mechanism is crucial for developing nanofluids with high thermal conductivity. Different nanoparticles dispersed in deionized water exhibit varying thermal conductivities, with the relationship between nanolayer structure and thermal conductivity being complex. Molecular dynamics simulations suggest that a new parameter, N/delta, can quantitatively evaluate the relationship between nanolayer structure and thermal conductivity in nanofluids.

JOURNAL OF MOLECULAR LIQUIDS (2021)

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Article Chemistry, Physical

The Molecular dynamics study of atomic Management and thermal behavior of Al-Water Nanofluid: A two phase unsteady simulation

Yunhong Shi et al.

Summary: Molecular Dynamic (MD) approach is utilized to study the aggregation process of Al nanoparticles in an aqueous environment, with a focus on the effects of temperature and pressure. The results suggest that the aggregation process is influenced by the temperature and pressure ratio, with an increase in atomic mobility leading to quicker collisions between the nanoparticles. Additionally, numerical analysis shows a decrease in aggregation time as temperature rises and an increase in aggregation time with higher pressure.

JOURNAL OF MOLECULAR LIQUIDS (2021)

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Article Thermodynamics

The effects of external force and electrical field on the agglomeration of Fe3O4 nanoparticles in electroosmotic flows in microchannels using molecular dynamics simulation

Reza Balali Dehkordi et al.

Summary: The study examines the effects of external electrostatic force and external electrical field on Fe3O4 nanoparticles in a copper microchannel, showing that the external electrical field plays a significant role in the agglomeration process in atomic structures, with an increase in field leading to an increase in the time required for the agglomeration process.

INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER (2021)

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Article Chemistry, Physical

Molecular dynamics simulation of water-based Ferro-nanofluid flow in the microchannel and nanochannel: Effects of number of layers and material of walls

Xiao-Yong Shen et al.

Summary: This paper investigates the effect of Fe3O4 nanoparticles on the behavior of water-based fluid by using molecular dynamics simulation, and explores the influence of channel wall material and number of layers on fluid flow. Increasing the number of wall layers can enhance interactions between fluid particles and walls, leading to an accumulation of fluid particles near channel walls and an increase in density.

JOURNAL OF MOLECULAR LIQUIDS (2021)

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Article Thermodynamics