Thermodiffusion in model nanofluids by molecular dynamics simulations

In this work, a new algorithm is proposed to compute single particle (infinite dilution) thermodiffusion using nonequilibrium molecular dynamics simulations through the estimation of the thermophoretic force that applies on a solute particle. This scheme is shown to provide consistent results for model nanofluids in the liquid state (spherical nonmetallic nanoparticles+Lennard-Jones fluid) where it appears that thermodiffusion amplitude, as well as thermal conductivity, decreases with nanoparticle concentration. Then, by changing the nature of the nanoparticle (size, mass, and internal stiffness) and that of the solvent (quality and viscosity), various trends are exhibited. In all cases, the single particle thermodiffusion is positive, i.e., the nanoparticle tends to migrate toward the cold area. The single particle thermal diffusion coefficient is shown to be independent of the size of the nanoparticle (diameter of 0.8-4 nm), whereas it increases with the quality of the solvent and is inversely proportional to the viscosity of the fluid. In addition, this coefficient is shown to be independent of the mass of the nanoparticle and to increase with the stiffness of the nanoparticle internal bonds. Besides, for these configurations, the mass diffusion coefficient behavior appears to be consistent with a Stokes-Einstein-like law.     

Determination of nanolayer thickness and effective thermal conductivity of nanofluids

Nanofluids having high thermal conductivity enhancement relative to conventional pure fluids are fluids engineered by suspending solid nanoparticles into base fluids. In the present study, calculating the Van der Waals interaction energy between a nanoparticle and an ordered liquid nanolayer around it, the nanolayer thickness was determined, the average velocity of the Brownian motion of nanoparticles in a fluid was estimated, and by taking into account both the aggregation of nanoparticles and the presence of a nanolayer a new thermal conductivity model for nanofluids was proposed. It has been shown that the nanolayer thickness in nanofluids is independent on the radius of nanoparticles when the radius of the nanoparticles is much greater than the nanolayer thickness and determines by the specific interaction of the given liquid and solid nanoparticle through the Hamaker constant, the surface tension and the wetting angle. It was proved that the frequency of heat exchange by fluid molecules is two orders of magnitude higher than the frequency of heat transfer by nanoparticles, so that the contribution due to the Brownian motion of nanoparticles in the thermal conductivity of nanofluids can be neglected. The predictions of the proposed model of thermal conductivity were compared with the experimental data and a good correlation was achieved.     

Adhesion promotion of Cu on C by Cr intermediate layers investigated by the SIMS method

Copper-carbon composites are candidate materials for heat sinks for high speed/high-performance electronic components. They combine high thermal conductivity with low density and a tailorable coefficient of thermal expansion (CTE). Because of the low wettability of carbon by copper, a thin layer of chromium can be deposited to promote both the adhesion and the thermal contact of copper with the carbon fibers. Therefore, in a first step layers of Cr and Cu were deposited by magnetron sputtering on plane vitreous carbon substrates (Sigradur G), which serve as a model for carbon fibers. From pull-off-adhesion measurements an interlayer thickness of Cr in the range of 2-10 nm was found to provide the optimal adhesion for 1 micro m thick copper overlayers. To model the later serial fabrication of the composite that involves a hot pressing step following the deposition, the C/Cr/Cu samples were heat treated at 800 degrees C under vacuum for 1 h. Adhesion on the heat-treated samples was superior in comparison to the untreated ones. To obtain information about the adhesion mechanism secondary ion mass spectrometry (SIMS) investigations were done on the depth distribution of the main elements copper, chromium, and carbon. Two samples, one as deposited and one subjected to heat treatment after deposition, were compared in this investigation. We found that heat treatment mainly modifies the distribution of Cr in the C/Cr/Cu system.     

Novel coassembly route to Cu-SiO2 MCM-41-like mesoporous materials

A series of mesostructured Cu-SiO2 composites have been synthesized with sodium metasilicate (Na2SiO3) and cuprammonia nitrate (Cu(NH3)4(NO3)2) respectively used as Si and Cu sources. The synthetic procedures were conducted at room temperature, and cetyltrimethylammonia bromide was used as a template. Under our experimental conditions, ordered mesoporous Cu-SiO2 composites could be obtained with a copper content up to 16.8 wt %. Average pore diameters (2.80-3.15 nm), wall thickness (1.30-2.20 nm), and specific surface area (1020-690 m2/g) are found to vary linearly with copper content (0-16.8 wt %). Results of thermal gravimetry-differential thermal analysis reveal the collapse temperature of the order structure starts at approximately 1250 K for mesoporous Cu-SiO2 with 16.8 wt % copper content. As indicated by the outcomes of inductively coupled plasma and X-ray photoelectron spectroscopy studies, copper is mainly incorporated inside the pore wall rather than embedded on the wall surface. Copper species strongly interact with silica, and calcination at high temperatures cannot cause phase separation between silica and copper oxide. Cu status in mesoporous Cu-SiO2 composites is similar to that in copper silicate in neighboring structures. Based on the results, a S+ I- I+ I- mechanism is proposed in which copper entities are surrounded by silicon species during synthesis of the mesostructured composite.     

A model of nanofluids effective thermal conductivity based on dimensionless groups

Thermal conductivity is an important parameter in the field of nanofluid heat transfer. This article presents a novel model for the prediction of the effective thermal conductivity of nanofluids based on dimensionless groups. The model expresses the thermal conductivity of a nanofluid as a function of the thermal conductivity of the solid and liquid, their volume fractions, particle size and interfacial shell properties. According to this model, thermal conductivity changes nonlinearly with nanoparticle loading. The results are in good agreement with the experimental data of alumina-water and alumina-ethylene glycol based nanofluids.     

Effect of glycerol on micelle formation by ionic and nonionic surfactants at 25 degrees C

The effect of glycerol on the micellization of the cationic surfactant cetyltrimethylammonium bromide (CTAB) and of the ethoxylated nonionic surfactant Brij 58 has been investigated by various experimental techniques. For both surfactants the critical micellar concentration (cmc), determined by surface tension measurements, is almost unaffected by the presence of glycerol in the mixture; only at high glycerol concentrations (>/=20% w/w) does the cmc significantly increase. The area per surfactant molecule at the air-solution interface, A, increases with increasing glycerol weight percentage, w(g). Fluorescence quenching measurements indicate that the presence of glycerol induces a lowering of the aggregation number of both surfactants. The glycerol intradiffusion coefficient has been measured by the pulsed-gradient spin-echo NMR technique as a function of glycerol content at constant surfactant concentration. It is almost unaffected by the presence of the surfactants, indicating that no direct glycerol-surfactant interaction occurs in the mixture. The surfactant intradiffusion coefficient has been also measured. In the case of CTAB, it increases with increasing glycerol concentration, a reflection of the decreased aggregation number. For Brij 58, in spite of the lowering of the aggregation number, the surfactant intradiffusion coefficient decreases with increasing glycerol concentration, suggesting an increase of the intermicellar interaction. The experimental evidence shows that for both surfactants the micellization is affected by the presence of glycerol through an indirect, solvent-mediated mechanism. In the case of CTAB, the main effect of glycerol is a lowering of the medium dielectric constant, which enhances the electrostatic interactions in solution. In the case of Brij 58, the results can be interpreted in terms of a salting-out effect according to which glycerol competes with the surfactant for water molecules, causing a dehydration of the surfactant ethoxylic headgroup.     

Thermodynamic Properties and Transport Coefficients of CO<Subscript>2</Subscript>–Cu Thermal Plasmas

This paper presents the calculated values of equilibrium compositions, thermodynamic properties and transport coefficients (viscosity, electrical conductivity and thermal conductivity) for CO₂–Cu thermal plasmas. With several copper mass proportions, the calculation is performed at temperatures 2000–30,000 K and various pressures 0.1–16 bar. Gibbs free energy minimization is used to determine species compositions and thermodynamic properties and the well-known Chapman–Enskog method is applied to calculating transport properties. Furthermore, great attention is paid to cope with the interactions between all the particles in the determination of collision integrals. The results are illustrated indicating the effect of the copper proportions and pressure on the fundamental properties of CO₂–Cu thermal plasmas. It can be found that a small quantity of copper (less than 10 %) can significantly modify the charged species densities and electrical conductivity especially at low temperature. While for other properties, the influences can be noticeable only when the copper proportion is above 10 %.     

Optical and electrical properties of copper alumina nanoparticles reinforced chlorinated polyethylene composites for optoelectronic devices

The incorporation of transition metal oxide fillers into the polymer matrix through solution mixing polymerization imparts enhanced electrical and thermal properties. The present work focused on the optical properties, crystallinity, thermal stability, temperature-dependent conductivity, dielectric constant and modulus of chlorinated polyethylene/copper alumina (CPE/Cu–Al₂O₃) nanocomposites. Optical absorption measured using an ultraviolet–visible (UV–visible) spectrometer shows enhanced intensity and a blue shift for CPE/Cu–Al₂O₃ nanocomposites. The bandgap energy of CPE/Cu–Al₂O₃ nanocomposites was lower than pure CPE and minimum bandgap energy was recorded for a 7 wt% composites. The X-ray diffraction demonstrates that Cu–Al₂O₃ nanoparticles were uniformly introduced into the CPE matrix. Thermogravimetric analysis (TGA) manifests improved thermal stability of nanocomposites. Dielectric properties decrease with frequency, whereas AC conductivity increases with frequency, and both AC conductivity and dielectric properties increase with temperature. The maximum AC conductivity and dielectric constant were obtained for 7 wt % nanofiller loaded sample. For all systems, the activation energy for electrical conductivity decreases with rising temperatures. The experimental dielectric constant values of CPE nanocomposites were correlated with different theoretical models. The Bruggeman model was in good agreement with the experimental permittivity. The impedance experiments showed a decreasing trend with temperature, indicating the semiconducting nature of prepared nanocomposites.     

Electrophysical properties of layered perovskites LnBaCo<Subscript>2 − <Emphasis Type="Italic">x</Emphasis></Subscript>Cu<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>O<Subscript>5 + δ</Subscript> (Ln = Sm,Nd) for solid oxide fuel cells

The influence of doping with copper oxide on the phase composition, electric conductivity, and linear thermal expansion coefficient (LTEC) of SmBaCo₂O_{5 + δ} and NdBaCo₂O_{5 + δ} was studied. The sample homogeneity region has been determined with using XRD. The samples conductivity decreased as the dopant concentration increased. The character of the temperature dependence of conductivity changed at high copper contents. In a reductive atmosphere, the conductivity of the samples at first decreased and then remained constant. The linear thermal expansion coefficient decreased as the amount of the incorporated dopant increased.     

Cu2Se nanoparticles with tunable electronic properties due to a controlled solid-state phase transition driven by copper oxidation and cationic conduction

Stoichiometric copper(I) selenide nanoparticles have been synthesized using the hot injection method. The effects of air exposure on the surface composition, crystal structure, and electronic properties were monitored using X-ray photoelectron spectroscopy, X-ray diffraction, and conductivity measurements. The current-voltage response changes from semiconducting to ohmic, and within a week a 3000-fold increase in conductivity is observed under ambient conditions. The enhanced electronic properties can be explained by the oxidation of Cu(+) and Se(2-) on the nanoparticle surface, ultimately leading to a solid-state conversion of the core from monoclinic Cu(2)Se to cubic Cu(1.8)Se. This behavior is a result of the facile solid-state ionic conductivity of cationic Cu within the crystal and the high susceptibility of the nanoparticle surface to oxidation. This regulated transformation is appealing as one could envision using layers of Cu(2)Se nanoparticles as both semiconducting and conducting domains in optoelectronic devices simply by tuning the electronic properties for each layer through controlled oxidation.     

Ag/Yb掺杂对Ca_3Co_(3.9)Cu_(0.1)O_(9-δ)热电性能的影响

采用溶胶凝胶及冷压方法,通过在Ca_3Co_(3.9)Cu_(0.1)O_(9-δ)体系中引入不同量的Ag~+或Yb~(3+)离子来调控体系的热电性能,制备了可在300~880 K下稳定存在且热电性能优良的陶瓷材料Ca_(3-x)Ag_xCo_(3.9)Cu_(0.1)O_(9-δ)(x=0.1,0.15,0.2,0.3)和Ca_(3-y)Yb_yCo_(3.9)Cu_(0.1)O_(9-δ)(y=0.05,0.1,0.2,0.3).通过X射线衍射(XRD)和扫描电子显微镜(SEM)等测试手段对产物进行了表征,结果显示所制备的样品纯度较高,晶粒均匀,晶粒间较致密.适量的Ag~+,Yb~(3+)离子取代Ca~(2+)离子固溶到晶体中使制备的双掺杂材料晶胞体积发生了变化,但并未引起晶体对称结构的变化.电阻率和Seebeck系数的表征结果说明双掺杂优化了载流子的浓度,随着温度的升高电阻率不断减小,Seebeck系数不断增大.经过计算可知Seebeck系数的增大还有电子有效质量的贡献.热导率表征结果显示双掺杂体系的热导率随着温度的升高而减小,其中声子热导依然起主要作用,这与单掺杂体系的结果一致.随着温度的升高,双掺杂样品Ca_(2.7)Ag_(0.3)Co_(3.9)Cu_(0.1)O_(9-δ)在880 K下ZT值达到最大,为0.2.     

Photocured characteristics of fast photocurable acrylic formulations and investigations by differential photo calorimeter

Nanofluids are obtained by suspending metallic or non-metallic nanoparticles in conventional base liquids and can be employed to increase heat transfer rate in various applications. In this study, the effects of adding three types of nanofluids on turbulent convective heat transfer at the entrance region of a constant wall heat flux tube were experimentally studied. The nanofluids were mixtures of aluminium oxide, copper oxide, and silicon carbide at various nanoparticle volume fractions ranging from 0.0002 to 0.002 in water. The convective heat transfer coefficient was measured at different Reynolds numbers of 10,000–50,000. At these concentrations and Reynolds numbers, a maximum of 11–18% of convection heat transfer coefficient was observed as compared to the base fluid, showing a 6–9% increase on average. In this study, it was observed that changes in the nanoparticle type had no considerable effect on heat transfer coefficient increase. According to the model proposed here, the dimensionless thickness of laminar sub-layer is specified as a functional equation of the volume fraction of nanoparticles for each material.

     

A Low-cost Paper-based Diamond Electrode for Trace Copper Analysis at On-site Environmental Area

In the present study, an alternative platform for trace copper ions (Cu(II)) determination using a diamond electrode in combination with a disposable paper-based analytical device (d-PAD) has been proposed. First, the complexation between Cu(II) and 1,10-phenanthroline ligand was adsorptively accumulated onto a paper that is directly in contact with the diamond electrode and measured via square wave anodic stripping voltammetry. Under the optimal experimental conditions, the peak current was proportional to the concentration of Cu(II) in the range of 0.4–70 ng mL⁻¹, and the detection limit was found to be 0.1 ng mL⁻¹. Most importantly, this platform can be successfully applied to detect trace Cu(II) in different water samples (drinking water, tap water, groundwater and river water) with satisfactory results. Thus, the proposed d-PAD could be a highly efficient platform for trace Cu(II) determination in environmental samples.     

Thermal properties measurement of cut tobacco based on TPS method and thermal conductivity model

Drying process of biomass porous media is widely involved in agricultural products processing. Accurate measurement of thermal properties and prediction of thermal conductivity variation at different conditions is the key of heat transfer simulation and optimization for drying process. The present work measured the thermal properties of cut tobacco in a constant temperature experimental platform by transient plane source method (TPS method), and developed a model to predict thermal conductivity of cut tobacco at different conditions. The results showed that there was a high test precision for thermal properties measurement of cut tobacco by TPS method. Thermal conductivity of cut tobacco increased significantly with the increase of temperature and moisture content at the range of 25–65 °C and 12.5–25 %. Volume heat capacities showed a similar trend. The model predictions of thermal conductivity showed strong correlation coefficient with experimental values. The deviation of model predictions is less than 10 %, which indicated that the established model had a good prediction precision for thermal conductivity of cut tobacco.     

Design-Oriented Modelling of Different Quenching Solutions in Induction Plasma Synthesis of Copper Nanoparticles

The aim of this paper is to compare the effects of different mechanisms underlying the synthesis of copper nanoparticles using an atmospheric pressure radio-frequency induction thermal plasma. A design oriented modelling approach was used to parametrically investigate trends and impact of different parameters on the synthesis process through a thermo-fluid dynamic model coupled with electromagnetic field equations for describing the plasma behaviour and a moment method for describing nanoparticles nucleation, growth and transport. The effect of radiative losses from Cu vapour on the precursor evaporation efficiency is highlighted, with occurrence of loading effect even with low precursor feed rate due to the decrease in plasma temperature. A method to model nanoparticle deposition on a porous wall is proposed, in which a sticking coefficient is employed to model particle sticking on the porous wall used to carry a quench gas flow into the chamber. Two different reaction chamber designs combined with different quench gas injection strategies (injection through a porous wall for “active” quenching; injection of a shroud gas for “passive” quenching) are analysed in terms of process yield and size distribution of the synthetized nanoparticles. Conclusion can be drawn on the characteristics of each quenching strategy in terms of throughput and mean diameter of the synthesized nanoparticles.     

Synthesis, spectroscopic, and thermal properties of some azomethine complexes of Cu(II), Ni(II), and Pt(II)

Four polydentate azomehines and their mono- and binuclear Pt(II), Cu(II), and Ni(II) complexes were synthesized and characterized. The resulting complexes were characterized by FTIR, magnetic measurements, elemental analysis, conductivity measurements, and thermal analysis. Electronic spectra and magnetic susceptibility measurements sustain the proposed distorted square-planar structures for the copper complexes. The electronic spectra display the characteristic pattern of square-planar stereochemistry for the other complexes. The thermal analyses have evidenced the thermal intervals of stability and also the thermodynamic effects that accompany them. Azomethine complexes have a similar thermal behavior for the selected metal ions. The decomposition processes as water elimination, chloride anion removal as well as degradation of the organic ligands were observed.     

The detection of nitrate using in-situ copper nanoparticle deposition at a boron doped diamond electrode.

Electrochemical deposition from a 0.1 M sodium sulphate solution, containing Cu2+ (adjusted to pH 3 with hydrochloric acid) produced a well defined copper nanoparticle deposit on the surface of a boron doped diamond electrode. Changing conditions such as potential (-0.8, -1.0 and -1.2 V), time (5, 2 and 0.5 s) and concentration of Cu2+ (500, 250 and 100 microM) was found to give copper nanoparticles of varying size and particle density. The electrocatalytic properties of the copper surface towards nitrate reduction were explored. An in-situ copper nanoparticle production method was developed for the detection of nitrate; this involves electrodeposition, followed by linear sweep voltammetry for the reduction of nitrate and then application of a stripping potential to renew the electrode surface. The linear sweep was discovered to have homogenised the size of the nanoparticles but their number density was still dependant on the initial conditions of deposition. Some particles were still present at the surface after the stripping potential had been applied but repetitions of the procedure showed these did not have an effect on subsequent deposits. Optimisation of the method lead to applying a deposition potential of -0.8 V, at a BDD electrode for 5 s in a 0.1 M sodium sulphate solution (pH 3) containing 100 microM Cu2+ followed by a linear sweep at 1 V/s; this yielded a limit of detection of 1.5 microM nitrate. The analytical applicability of the technique was evaluated for nitrate detection in a natural mineral water sample and was found to agree well with that stated by the manufacturer.     

Prediction of the transport properties of a polyatomic gas

An ab initio molecular potential model is employed in this paper to show its excellent predictability for the transport properties of a polyatomic gas from molecular dynamics simulations. A quantum mechanical treatment of molecular vibrational energies is included in the Green and Kubo integral formulas for the calculation of the thermal conductivity by the Metropolis Monte Carlo method. Using CO₂ gas as an example, the fluid transport properties in the temperature range of 300–1000 K are calculated without using any experimental data. The accuracy of the calculated transport properties is significantly improved by the present model, especially for the thermal conductivity. The average deviations of the calculated results from the experimental data for self-diffusion coefficient, shear viscosity, thermal conductivity are, respectively, 2.32%, 0.71% and 2.30%.     

Thermal properties of multilayer graphene and hBN reinforced copper matrix composites

The unique properties of graphene make it a very attractive application, although there are still no commercial products in which graphene would play a key role. Good thermal conductivity is undoubtedly one of the attributes which can be easily used both in materials involving large monoatomic layers, that are very difficult to obtain, as well as multilayer graphene flakes, which have been commercially available on the market for several years. The article presents the results of tests on the characteristic thermal properties of composites with the addition of 2–15% of multilayer graphene (MLG) crystals. The motivation of the study was literature reports showing the possibility of increasing the thermal conductivity of composites with MLG participation in the copper matrix. Since the production of composites with increased properties is associated with obtaining a strong orientation of the flakes in the structure, composites with hBN flakes exhibiting significantly worse but also directional thermal properties were produced for comparison. The paper showed a strong influence of flake morphology on the possibility of creating a directional structure. The obtained Cu/MLG composites with the addition of only 2% MLG were characterized by an increase in the thermal conductivity coefficient of about 30% in relation to sinters without the participation of MLG.