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1.
Waste Manag ; 109: 161-170, 2020 May 15.
Artigo em Inglês | MEDLINE | ID: mdl-32408099

RESUMO

Due to the increasing coffee production, Spent Coffee Grounds' (SCGs) generation has grown dramatically, hence appropriate management of this solid biomass waste is imperative. SCGs can be used as feedstocks for renewable energy and fuel generation provided that a stable feeding of powders to reactors is maintained. Recently, a non-mechanical spouted bed feeder proved itself an excellent alternative in feeding SCGs to a pilot-scale circulating fluidized bed reactor. Nonetheless, further studies are necessary for the feeder's implementation in commercial applications. Here the feeding of SCGs with the spouted bed feeder is addressed by using Computational Fluid Dynamics. Firstly, a Two-Fluid Model (TFM) is validated against experimental data, and then the effects of five operating and design parameters were analyzed aiming at improving the handling of SCGs. The solids flowrate (WS) in the reactor could be stably controlled from 4 to 30 g/s depending on the settings. The feeder performance is enhanced by operating it under high gas flowrate (Q), high entrainment length (z), and high mass of solids in the feeder (HS). Using feeders with low cone angle (γ) or reactors with large diameter (DR) increases WS, which is appealing for the operation of medium-to large-scale units. The proposed TFM is a cost-effective tool for implementing spouted bed feeders in commercial applications. With the feeder coupled to the process, SCGs are treated continuously in the reactor for energy generation, thus reducing the disposal problems associated with this waste and improving the management of SCGs globally.


Assuntos
Café , Resíduos Sólidos , Biomassa
2.
ChemSusChem ; 13(6): 1645-1655, 2020 Mar 20.
Artigo em Inglês | MEDLINE | ID: mdl-31270940

RESUMO

Layered double hydroxides (LDHs) containing first-row transition metals such as Fe, Co, and Ni have attracted significant interest for electrocatalysis owing to their abundance and excellent performance for the oxygen evolution reaction (OER) in alkaline media. Herein, the assembly of holey iron-doped nickel-cobalt layered double hydroxide (NiCo-LDH) nanosheets ('holey nanosheets') is demonstrated by employing uniform Ni-Co glycerate spheres as self-templates. Iron doping was found to increase the rate of hydrolysis of Ni-Co glycerate spheres and induce the formation of a holey interconnected sheet-like structure with small pores (1-10 nm) and a high specific surface area (279 m2 g-1 ). The optimum Fe-doped NiCo-LDH OER catalyst showed a low overpotential of 285 mV at a current density of 10 mA cm-2 and a low Tafel slope of 62 mV dec-1 . The enhanced OER activity was attributed to (i) the high specific surface area of the holey nanosheets, which increases the number of active sites, and (ii) the improved kinetics and enhanced ion transport arising from the iron doping and synergistic effects.

3.
Inhal Toxicol ; 31(6): 224-235, 2019 05.
Artigo em Inglês | MEDLINE | ID: mdl-31431101

RESUMO

Aim: Inhaled allergens from house dust mite (HDM) are a major source of allergic disease such as allergic rhinitis and asthma. It has been a challenge to properly evaluate health risks caused by HDM related allergens including mite bodies, eggs and fecal pellets. This paper presents a numerical study on particle deposition of dust mite allergens in a human nasal cavity. Materials and methods: A realistic nasal cavity model was reconstructed from CT scans and a Computational Fluid Dynamics analysis of steady airflow was simulated. The discrete phase model was used to trace particle trajectories of three dust mite related particles. Results: The flow and particle model were validated by comparing with nasal resistance measurement and previous literature respectively. Aerodynamic characteristics and deposition of dust mite allergens in the nasal cavity were analyzed under different breathing conditions including rest and exercising conditions. Conclusions: The numerical results revealed the roles of different nasal cavity regions in filtering various types of dust mite allergens with consideration of breathing conditions.


Assuntos
Alérgenos , Antígenos de Dermatophagoides , Modelos Anatômicos , Modelos Teóricos , Cavidade Nasal/fisiologia , Adulto , Animais , Feminino , Humanos , Hidrodinâmica , Exposição por Inalação , Cavidade Nasal/anatomia & histologia , Pressão
4.
Materials (Basel) ; 12(6)2019 Mar 22.
Artigo em Inglês | MEDLINE | ID: mdl-30909418

RESUMO

Nanopillar crystalline indium tin oxide (ITO) thin films were deposited on soda-lime glass substrates by radio frequency (RF) magnetron sputtering under the power levels of 100 W, 150 W, 200 W and 250 W. The preparation process of thin films is divided into two steps, firstly, sputtering a very thin and granular crystalline film at the bottom, and then sputtering a nanopillar crystalline film above the bottom film. The structure, morphology, optical and electrical properties of the nanopillar crystalline ITO thin films were investigated. From X-ray diffraction (XRD) analysis, the nanopillar crystalline thin films shows (400) preferred orientation. Due to the effect of the bottom granular grains, the crystallinity of the nanopillar crystals on the upper layer was greatly improved. The nanopillar crystalline ITO thin films exhibited excellent electrical properties, enhanced visible light transmittance and a highly infrared reflectivity in the mid-infrared region. It is noted that the thin film deposited at 200 W showed the best combination of optical and electrical performance, with resistivity of 1.44 × 10-4 Ω cm, average transmittance of 88.49% (with a film thickness of 1031 nm) and IR reflectivity reaching 89.18%.

5.
Phys Chem Chem Phys ; 20(44): 28088-28104, 2018 Nov 14.
Artigo em Inglês | MEDLINE | ID: mdl-30383068

RESUMO

The structural evolution of tantalum (Ta) during rapid cooling was investigated by molecular dynamics simulation, in terms of the system energy, the pair distribution function and the largest standard cluster analysis. It was found that the critical cooling rate for vitrification was about R ≥ 0.25 K ps-1, two orders lower than other metals (such as Au, Ag, Al, Zr and Zn) and that the meta-stable σ phase (ß-Ta) not only appears on the pathway from liquid to the stable body-centred cubic crystal, but is also easily obtained at room temperature as a long-lived metastable phase with some probability. The most interesting point is that the liquid, amorphous and ß-Ta phases share a nontrivial structural homology; the intrinsic topologically close-packed (TCP) structures in liquids are inherited and developed in different ways, resulting in amorphous or crystalline solids, respectively. With highly local packing fractions and geometrical incompatibility with the global close-packed (such as hcp, fcc and bcc) crystals, TCP structures inevitably result in structural heterogeneity and favour vitrification. As a superset of icosahedrons, TCP structures are ubiquitous in metallic melts, and just before the onset of crystallization reach their maximal number, which is much bigger in Ta than in other poor-GFA metals; so we argue that the strong forming ability of TCP local structures significantly enhances the glass forming ability of pure metals. These findings open up a new perspective that could have a profound impact on the research into metallic glasses.

6.
Eur Phys J E Soft Matter ; 41(11): 139, 2018 Nov 27.
Artigo em Inglês | MEDLINE | ID: mdl-30470964

RESUMO

The dynamic crystallization of cubic granular particles under three-dimensional mechanical vibration is numerically investigated by the discrete element method. The effects of operational conditions (vibration, container shape and system size) and particle properties (gravity and friction) on the formation of crystals and defects are discussed. The results show that the formation and growth of clusters with face-to-face aligned cubic particles can be easily realized under vibrations. Especially, a single crystal with both translational and orientational ordering can be reproduced in a rectangular container under appropriate vibrations. It is also found that the gravitational effect is beneficial for the ordering of a packing; the ordering of frictional particles can be improved significantly with an enlarged gravitational acceleration. The flat walls of a rectangular container facilitate the formation of orderly layered structures. The curved walls of a cylindrical container contribute to the formation of ring-like structures, whereas they also cause distortions and defects in the packing centers. Finally, it is shown that the crystallization of inelastic particles is basically accomplished by the pursuit of a better mechanical stability of the system, with decreasing kinetic and potential energies.

7.
ACS Appl Mater Interfaces ; 10(39): 33170-33178, 2018 Oct 03.
Artigo em Inglês | MEDLINE | ID: mdl-30183243

RESUMO

ZnMn2O4 microtubules (ZMO-MTs) with a mesoporous structure are fabricated by a novel yet effective biomorphic approach employing cotton fiber as a biotemplate. The fabricated ZMO-MT has approximately an inner diameter of 8.5 µm and wall thickness of 1.5 µm. Further, the sample of ZMO-MT displays a large specific surface area of 48.5 m2 g-1. When evaluated as a negative material for Li-ion batteries, ZMO-MT demonstrates an improved cyclic performance with discharge capacities of 750.4 and 535.2 mA h g-1 after 300 cycles, under current densities of 200 and 500 mA g-1, respectively. Meanwhile, ZMO-MT exhibits superior rate performances with high reversible discharge capacities of 614.7 and 465.2 mA h g-1 under high rates of 1000 and 2000 mA g-1, respectively. In sodium ion batteries applications, ZMO-MT delivers excellent high discharge capacities of 102 and 71.4 mA h g-1 after 300 cycles under 100 and 200 mA g-1, respectively. An excellent rate capability of 58.2 mA h g-1 under the current density of 2000 mA g-1 can also be achieved. The promising cycling performance and rate capability could be benefited from the unique one-dimensional mesoporous microtubular architecture of ZMO-MT, which offers a large electrolyte/electrode accessible contact area and short diffusion distance for both of ions and electrons, buffering the volume variation originated from the repeated ion intercalation/deintercalation processes.

8.
Chemistry ; 23(14): 3291-3299, 2017 Mar 08.
Artigo em Inglês | MEDLINE | ID: mdl-28074502

RESUMO

Gold nanorods (AuNRs) are versatile materials due to their broadly tunable optical properties associated with their anisotropic feature. Conventional seed-mediated synthesis is, however, not only limited by the operational complexity and over-sensitivity towards subtle changes of experimental conditions but also suffers from low yield (≈15 %). A facile seedless method is reported to overcome these challenges. Monodispersed AuNRs with high yield (≈100 %) and highly adjustable longitudinal surface plasmon resonance (LSPR) are reproducibly synthesized. The parameters that influence the AuNRs growth were thoroughly investigated in terms of growth kinetics and soft-template regulation, offering a better understanding of the template-based mechanism. The facile synthesis, broad tunability of LSRP, high reproducibility, high yield, and ease of scale-up make this method promising for the future mass production of monodispersed AuNRs for applications in catalysis, sensing, and biomedicine.

9.
Small ; 13(4)2017 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-27322357

RESUMO

Binary 1D nanowires consisting of both SnO2 nanoparticles and Au nanorods are fabricated through a "substrate-particle solution template" assembling method, which shows highly enhanced gas sensitivity toward acetone under ambient conditions.

10.
Adv Mater ; 29(12)2017 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-28026053

RESUMO

The emergence of metal-organic frameworks (MOFs) as a new class of crystalline porous materials is attracting considerable attention in many fields such as catalysis, energy storage and conversion, sensors, and environmental remediation due to their controllable composition, structure and pore size. MOFs are versatile precursors for the preparation of various forms of nanomaterials as well as new multifunctional nanocomposites/hybrids, which exhibit superior functional properties compared to the individual components assembling the composites. This review provides an overview of recent developments achieved in the fabrication of porous MOF-derived nanostructures including carbons, metal oxides, metal chalcogenides (metal sulfides and selenides), metal carbides, metal phosphides and their composites. Finally, the challenges and future trends and prospects associated with the development of MOF-derived nanomaterials are also examined.

11.
ACS Nano ; 11(1): 407-415, 2017 01 24.
Artigo em Inglês | MEDLINE | ID: mdl-28009507

RESUMO

Dual-phase transformation has been developed as a template-free surface patterning technique in this study. Ordered VO2 honeycomb structures with a complex hierarchy have been fabricated via this method, and the microstructures of the obtained VO2(M) coatings are tunable by tailoring the pertinent variables. The VO2(M) honeycomb-structured coatings have excellent visible light transmittance at 700 nm (Tvis) up to 95.4% with decent solar modulating ability (ΔTsol) of 5.5%, creating the potential as ultratransparent smart solar modulating coatings. Its excellent performance has been confirmed by a proof-of-principle demonstration. The dual-phase transformation technique has dramatically simplified the conventional colloidal lithography technique as a scalable surface patterning technique for achieving high-performance metal oxide coatings with diverse applications, such as catalysis, sensing, optics, electronics, and superwettable materials.

12.
ACS Appl Mater Interfaces ; 7(46): 25658-68, 2015 Nov 25.
Artigo em Inglês | MEDLINE | ID: mdl-26535913

RESUMO

Gold nanorods and their core-shell nanocomposites have been widely studied because of their well-defined anisotropy and unique optical properties and applications. This study demonstrates a facile hydrothermal synthesis strategy for generating carbon coating on gold nanorods (AuNRs@C) under mild conditions (<200 °C), where the carbon shell is composed of polymerized sugar molecules (glucose). The structure and composition of the produced core-shell nanocomposites were characterized using advanced microscopic and spectroscopic techniques. The functional properties, particularly the photothermal and biocompatibility properties of the produced AuNRs@C, were quantified to assess their potential in photothermal hyperthermia. These AuNRs@C were tested in vitro (under representative treatment conditions) using near-infrared (NIR) light irradiation. It was found that the AuNRs produced here exhibit exemplary heat generation capability. Temperature changes of 10.5, 9, and 8 °C for AuNRs@C were observed with carbon shell thicknesses of 10, 17, and 25 nm, respectively, at a concentration of 50 µM, after 600 s of irradiation with a laser power of 0.17 W/cm(2). In addition, the synthesized AuNRs@C also exhibit good biocompatibility toward two soft tissue sarcoma cell lines (HT1080, a fibrosarcoma; and GCT, a fibrous histiocytoma). The cell viability study shows that AuNRs@C (at a concentration of <0.1 mg/mL) core-shell particles induce significantly lower cytotoxicity on both HT1080 and GCT cell lines, as compared with cetyltrimethylammonium bromide (CTAB)-capped AuNRs. Furthermore, similar to PEG-modified AuNRs, they are also safe to both HT1080 and GCT cell lines. This biocompatibility results from a surface full of -OH or -COH groups, which are suitable for linking and are nontoxic Therefore, the AuNRs@C represent a viable alternative to PEG-coated AuNRs for facile synthesis and improved photothermal conversion. Overall, these findings open up a new class of carbon-coated nanostructures that are biocompatible and could potentially be employed in a wide range of biomedical applications.


Assuntos
Materiais Biocompatíveis/síntese química , Carbono/química , Ouro/química , Hipertermia Induzida , Nanotecnologia/métodos , Fototerapia , Teste de Materiais , Nanotubos/química , Nanotubos/ultraestrutura , Espectrofotometria Ultravioleta
13.
Nanoscale Res Lett ; 10(1): 411, 2015 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-26489854

RESUMO

A simple hydrothermal method for the synthesis of Ag0.35V2O5 nanobelts with the assistance of sodium dodecyl sulfate (SDS) is reported in this study. The experimental variables that may affect the nanoparticle structures were investigated. And several advanced techniques, such as TEM, HRTEM, X-ray diffraction (XRD), were used to characterize the morphology and composition of the as-prepared nanobelts. The mechanism of the formation and growth of Ag0.35V2O5 nanobelts was also investigated and discussed. The results show that SDS, as a weak reducing agent, plays a crucial role in the formation of Ag0.35V2O5. According to N2 sorption isothermals, the as-prepared Ag0.35V2O5 nanobelts are found to exhibit relative high surface area. The gas sensing performance of the Ag0.35V2O5 nanobelts towards organic amine was tested. It is found that the nanobelts show superior sensitivity of amine(s) to V2O5 particles, lower detection limit (5 ppm), and higher selectivity of amine versus ammonia at an optimized working temperature of ~260 °C. Moreover, the density functional theory (DFT) simulation was conducted to better understand the sensing mechanism. These findings may be useful in designing promising materials to detect amine gases for medical or food industrial applications.

14.
Curr Pharm Des ; 21(27): 3966-73, 2015.
Artigo em Inglês | MEDLINE | ID: mdl-26290194

RESUMO

The performance of a dry powder inhaler (DPI) depends on powder properties as well as the air and particle flows in the device. The main principle of powder dispersion is to overcome the inter-particle cohesion using various dispersion/ de-agglomeration forces. While different dispersion mechanisms have been identified, their relative importance under different conditions is less clear. The lack of understanding of these mechanisms is a major obstacle to the advance of pharmaceutical powder aerosol technology. This paper briefly reviews our recent effort in developing a combined computational fluid dynamics (CFD) and discrete element method (DEM) approach to gain such pivotal information. Dispersions under various specifically designed conditions were simulated to exam the role of individual dispersion mechanism. The air and particle flows were analysed at the particle scale and linked to dispersion performance characterised by fine particle fraction (FPF). In addition, the dispersion mechanisms of both drug only and carrier based formulations in a commercial inhaler were studied. Our work shows that the approach has the potential to develop a theoretical framework for designing new DPIs.


Assuntos
Sistemas de Liberação de Medicamentos/métodos , Inaladores de Pó Seco/instrumentação , Modelos Teóricos , Preparações Farmacêuticas/administração & dosagem , Pós/administração & dosagem , Administração por Inalação , Aerossóis , Inaladores de Pó Seco/métodos , Humanos
15.
Small ; 11(29): 3557-67, 2015 Aug 05.
Artigo em Inglês | MEDLINE | ID: mdl-25808560

RESUMO

This study demonstrates a facile but efficient hydrothermal method for the direct synthesis of both carbonaceous silver (Ag@C core-shell) nanocables and carbonaceous nanotubes under mild conditions (<180 °C). The carbonaceous tubes can be formed by removal of the silver cores via an etching process under temperature control (60-140 °C). The structure and composition are characterized using various advanced microscopic and spectroscopic techniques. The pertinent variables such as temperature, reaction time, and surfactants that can affect the formation and growth of the nanocables and nanotubes are investigated and optimized. It is found that cetyltrimethylammonium bromide plays multiple roles in the formation of Ag@C nanocables and carbonaceous nanotubes including: a shape controller for metallic Ag wires and Ag@C cables, a source of Br(-) ions to form insoluble AgBr and then Ag crystals, an etching agent of silver cores to form carbonaceous tubes, and an inducer to refill silver particles into the carbonaceous tubes to form core-shell structures. The formation mechanism of carbonaceous silver nanostructures depending upon temperature is also discussed. Finally, the electrocatalytic performance of the as-prepared Ag@C nanocables is assessed for the oxidation reduction reaction and found to be very active but much less costly than the commonly used platinum catalysts. The findings should be useful for designing and constructing carbonaceous-metal nanostructures with potential applications in conductive materials, catalysts, and biosensors.

16.
Artigo em Inglês | MEDLINE | ID: mdl-26764678

RESUMO

By using a recently developed method for discrete modeling of nonspherical particles, we simulate the random packings of granular regular polygons with three to 11 edges under gravity. The effects of shape and friction on the packing structures are investigated by various structural parameters, including packing fraction, the radial distribution function, coordination number, Voronoi tessellation, and bond-orientational order. We find that packing fraction is generally higher for geometrically nonfrustrated regular polygons, and can be increased by the increase of edge number and decrease of friction. The changes of packing fraction are linked with those of the microstructures, such as the variations of the translational and orientational orders and local configurations. In particular, the free areas of Voronoi tessellations (which are related to local packing fractions) can be described by log-normal distributions for all polygons. The quantitative analyses establish a clearer picture for the packings of regular polygons.

17.
Pharm Res ; 32(6): 2086-96, 2015 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-25511919

RESUMO

PURPOSE: Carrier-based dry powder inhalers (DPIs) are widely used for rapid and convenient delivery of drug to the site of action. This work aimed to predict powder aerosolisation in DPIs through numerical modelling. METHODS: A multi-scale modelling technique based on the combined computational fluid dynamics (CFD) and discrete element method (DEM) approach was developed. RESULTS: The simulation results of the detachments of the drug particles from single carrier under different impact velocities and angles were comparable with those measured in the experiments in terms of fine particle fraction FPF loaded . Empirical equations were developed to link the detachment performance with impact velocity and impact angle. Then the dynamics of the carrier particles in Aerolizer® was simulated. The results indicated that the carrier-wall impaction was the dominant mechanism for drug aerosolisation performance. By linking the empirical equations with the carrier-wall impact energy, the predictions showed that for a given formulation mass with a fixed carrier/drug ratio, the inhaler performance decreased with carrier size and increased with air flow rate. Device empty efficiency, however, was independent with carrier size and flow rate. CONCLUSIONS: The multi-scale model was able to provide quantitative information to better understand the aerosolisation mechanisms of carrier-based formulation.


Assuntos
Simulação por Computador , Portadores de Fármacos , Inaladores de Pó Seco , Modelos Teóricos , Preparações Farmacêuticas/química , Administração por Inalação , Aerossóis , Química Farmacêutica , Desenho de Equipamento , Movimento (Física) , Análise Numérica Assistida por Computador , Preparações Farmacêuticas/administração & dosagem , Pós , Fatores de Tempo
18.
ACS Appl Mater Interfaces ; 6(18): 15632-7, 2014 Sep 24.
Artigo em Inglês | MEDLINE | ID: mdl-25207997

RESUMO

A novel meosoporous tubular Co3O4 has been fabricated by a simple and cost-effective biomorphic synthesis route, which consists of infiltration of cotton fiber with cobalt nitrate solution and postcalcination at 673 K for 1 h. Its electrochemical performance as a supercapacitor electrode material is investigated by means of cyclic voltammetry and chronopotentiometry tests. Compared with bulk Co3O4 prepared without using cotton template, biomorphic Co3O4 displays 2.8 fold enhancement of pseudocapacitive performance because of the unique tubular morphology, relative high specific surface area (3 and 0.8 m(2)/g for biomorphic Co3O4 and bulk Co3O4, respectively), and mesoporous nature.


Assuntos
Biotecnologia/métodos , Engenharia Química/métodos , Cobalto/química , Óxidos/química , Materiais Biomiméticos , Biomimética , Fibra de Algodão
19.
Phys Rev Lett ; 113(6): 068001, 2014 Aug 08.
Artigo em Inglês | MEDLINE | ID: mdl-25148350

RESUMO

Granular piling may or may not induce a counterintuitive phenomenon of pressure dip at the center of a pile base. Understanding the behavior is a long-standing challenge in granular dynamics modeling. Here we show that the experimental observations of dip or nondip piles can be satisfactorily reproduced by the classic elastoplastic models. Our results demonstrate that (i) dynamic history is a critical factor in the successful description of a piling process and (ii) the dip phenomena are complicated, involving numerous variables associated not only with piling operation but also material properties. Our findings can explain why previous attempts failed to describe piling processes and may open up a new direction to describe granular materials in nature and many industrial processes.

20.
J Phys Condens Matter ; 26(30): 306004, 2014 Jul 30.
Artigo em Inglês | MEDLINE | ID: mdl-25002065

RESUMO

We report a systematic study of the magnetic properties in transition metals doped with WSe2 through the use of first principle calculations. The results demonstrate the possibility of generating long-range room temperature ferromagnetic interaction in WSe2 with the use of Mn and Fe doping. In the case of Fe, a percolation threshold is required for long-range ferromagnetism, whereas the long-range room temperature ferromagnetic interaction in Mn-doped WSe2 persists even at a low concentration (~5.6%). The ferromagnetism is mediated by the delocalized p states in the Se atoms, which couple antiferromagnetically with the spin-down a1 and e1 states in Fe doping through a correlated interaction. In Mn doping, the p states of Se tend to couple ferromagnetically with the 3d state of Mn, which stabilizes the long-range ferromagnetism between the Mn ions, although the short-range interaction is antiferromagnetic. In addition, the calculations indicate that Fe and Mn tend to configure at a high spin state, thus they possess much larger magnetic moments in WSe2 than when they are doped into other transition metal dichalcogenides. We also discovered a strong dependence of the exchange interaction on the dopants' spatial positions, distances, and concentrations, which alters the magnetic coupling from strong ferromagnetism to strong antiferromagnetism. These results can provide useful guidance to engineer the magnetic properties of WSe2 in future experiments.

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