25 Result(s)
within
Elaheh K. Goharshadi
English
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Article
Quantum computation of the properties of helium using two-body and three-body intermolecular potentials: a molecular dynamics study
We have performed the molecular dynamics simulation to obtain energy, pressure, and self-diffusion coefficient of helium at different temperatures and densities using Lennard–Jones (LJ), Hartree–Fock dispersio...
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Article
Prediction of Thermodynamic Properties of Liquid Air
In this work, a simple equation of state (EoS) has been used to predict some thermodynamic properties of air as a pseudo-pure fluid; as a ternary mixture of nitrogen, oxygen, and argon; and as a binary mixture...
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Article
Computation of some thermodynamics, transport, structural properties, and new equation of state for fluid neon using a new intermolecular potential from molecular dynamics simulation
A new pair potential energy function of neon has been determined via the inversion of reduced viscosity collision integrals at zero pressure and fitted to obtain an analytical potential form. The pair potentia...
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Article
Facile and green synthesis of ZnO nanostructures in a room-temperature ionic liquid 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
Pure hexagonal phase of ZnO nanoparticles have been successfully synthesized via microwave assisted decomposition of zinc acetate precursor in a green solvent, the ionic liquid, 1-hexyl-3-methylimidazolium bis...
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Article
Natural gas storage on silicon, carbon, and silicon carbide nanotubes: a combined quantum mechanics and grand canonical Monte Carlo simulation study
Grand canonical Monte Carlo (GCMC) simulation combined with ab initio quantum mechanics calculations were employed to study methane storage in homogeneous armchair open-ended single-walled silicon nanotubes (S...
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Article
Thermal conductivity and heat transport properties of graphene nanoribbons
The graphene nanoribbons (GNRs) are promising candidate for next-generation electronic materials. Herein, the thermal conductivity (TC) and heat transport properties of GNRs were investigated as a function of ...
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Article
Graphene nanosheets as efficient adsorbent for an azo dye removal: kinetic and thermodynamic studies
Graphene nanosheets were synthesized by a cost effective, simple, and environmentally friendly procedure via burning Mg ribbons in dry ice. The graphene nanosheets were characterized by seven methods including...
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Article
Non-isothermal crystallization kinetics of polyethylene-clay nanocomposites prepared by high-energy ball milling
Non-isothermal crystallization kinetics of pure medium density polyethylene (MDPE) and MDPE-clay nanocomposites have been investigated by differential scanning calorimeter. The modified Avrami, Ozawa, Liu and ...
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Article
Electrical conductivity, thermal conductivity, and rheological properties of graphene oxide-based nanofluids
Highly stable graphene oxide (GO)-based nanofluids were simply prepared by dispersing graphite oxide with the average crystallite size of 20 nm, in polar base fluids without using any surfactant. Electrical co...
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Article
Electrical conductivity of water-based palladium nanofluids
Although the thermal conductivities and viscosities of nanofluids have been widely measured, relatively few studies concerning their electrical conductivity have been reported. Stable nanofluids consisting of ...
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Article
Rheological properties of the nanofluids of tungsten oxide nanoparticles in ethylene glycol and glycerol
In this study, nanofluids of tungsten oxide (WO3) nanoparticles (0.5–4 % mass fractions) in ethylene glycol (EG) and glycerol (G) as base fluids were prepared and their rheological properties were measured as fun...
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Article
Influence of preparation methods of microwave, sol–gel, and hydrothermal on structural and optical properties of lanthania nanoparticles
In this work, the nearly pure hexagonal phase of lanthania nanoparticles (NPs) was successfully synthesized using three methods: microwave, sol–gel, and hydrothermal. The samples were characterized using nine ...
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Article
Glycerol revisited molecular dynamic simulations of structural, dynamical, and thermodynamic properties
We performed molecular dynamics simulations to investigate the properties of glycerol for a wide range of temperatures at standard pressure. We calculated structural (radial distribution functions and pair pot...
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Article
Synergistic effect of graphene nanosheets and zinc oxide nanoparticles for effective adsorption of Ni (II) ions from aqueous solutions
The threat of toxic substances such as heavy metals to public health and wildlife has led to an increasing public awareness. Different techniques for neutralizing the toxic effects of heavy metals in wastewate...
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Article
Highly efficient solar photocatalytic degradation of a textile dye by TiO2/graphene quantum dots nanocomposite
Herein, two sunlight responsive photocatalysts including TiO2 nanoparticles (NPs) and TiO2/graphene quantum dots (GQDs) nanocomposite for degrading a textile dye, Reactive Black 5 (RB5), were prepared. The result...
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Article
Transparent and robust omniphobic surface using colloidal polymer layers
Herein, the transparent omniphobic coating on glass slides was fabricated by using three different colloidal dispersions as sacrificial templates for a silica sol to make nano-scale surface roughness. These su...
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Article
Interfacial solar steam generation by wood-based devices to produce drinking water: a review
Freshwater supply is declining in the context of climate change, pollution, and soil salinization, calling for sustainable methods to produce drinking water. For instance, salt water can be converted into pure...
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Article
Modified pine cone with MnO2 nanoparticles as a photoabsorber for highly efficient seawater desalination and wastewater treatment
Production of drinking water using interfacial solar steam generation (ISSG) is an efficient and sustainable technology that addresses environmental impacts and high costs associated with industrial desalinati...
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Article
Graphene-based flame-retardant polyurethane: a critical review
Polyurethane foams (PUFs) are widely used in several applications including fire-alarm sensors, electromagnetic interference shielding, insulation material, and anti-corrosion coating. On the other hand, PUFs ...
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Article
Ag and Ni doped graphitic carbon nitride coated on wood as a highly porous and efficient photoabsorber in interfacial solar steam generation
A scalable, cost-effective, maintainable, porous, and high-efficient interfacial solar steam generation (ISSG) device is of great importance to address the challenge of water scarcity. The performance of Ag or...
