Synthesis of titanate nanostructures using amorphous precursor material and their adsorption/photocatalytic properties

This paper reports on a new and swift hydrothermal chemical route to prepare titanate nanostructures (TNS) avoiding the use of crystalline TiO2 as starting material. The synthesis approach uses a commercial solution of TiCl3 as titanium source to prepare an amorphous precursor, circumventing the use of hazardous chemical compounds. The influence of the reaction temperature and dwell autoclave time on the structure and morphology of the synthesised materials was studied. Homogeneous titanate nanotubes with a high length/diameter aspect ratio were synthesised at 160^{\circ}C and 24 h. A band gap of 3.06\pm0.03 eV was determined for the TNS samples prepared in these experimental conditions. This value is red shifted by 0.14 eV compared to the band gap value usually reported for the TiO2 anatase. Moreover, such samples show better adsorption capacity and photocatalytic performance on the dye rhodamine 6G (R6G) photodegradation process than TiO2 nanoparticles. A 98% reduction of the R6G concentration was achieved after 45 minutes of irradiation of a 10 ppm dye aqueous solution and 1 g/L of TNS catalyst.Comment: 29 pages, 10 figures, accepted for publication in Journal of Materials Scienc

Identification of regions in a spray dryer susceptible to forced agglomeration by CFD simulations

Agglomeration during spray drying improves the rehydration and flow properties of produced powders. However, tools for predicting agglomeration are rare. In this work a rigorous mapping approach incorporating number density and stickiness state of particles was developed for CFD simulations, which identifies different zones prone to coalescence and agglomeration inside a spray dryer. This approach was found to be quick, informative, reasonably accurate and resource efficient, as it bypasses the modelling of collision phenomena. The predictions were validated with experimental data of particle size distribution and SEM analyses of the powder morphology performed on samples produced in a lab-scale counter current spray dryer with varying two-nozzle- configurations. For the investigated dryer, the optimum nozzle configuration to achieve effective agglomeration was successfully identified and configurations yielding size enlargement dominated by coalescence could be distinguished. The developed method is generic and hence can be applied to find suitable location and angle for multiple atomization as well as fine returns in industrial practice to achieve controlled agglomeration. This study forms the fundament of a rigorous CFD model for agglomeration, which along with the findings from this study will allow the agglomeration phenomenon to be better understood and thus attain more efficient design, scale-up and operation of spray dryers

A reference-component coordinate system approach to model the mass transfer of a droplet with binary volatiles

A theoretical framework based on the reference-component centered coordinates was modified to enable the prediction study of the simultaneous absorption and evaporation of droplets consisting of two volatiles. A new equation of Robin boundary condition was imposed at the droplet-ambience interface, coupling with a new numerical scheme for solution. Experimental validation was performed with the following situations: evaporation of single pure droplet and bicomponent droplet, and simultaneous absorption and evaporation of droplet. The model predicted the mass profiles reasonably well for droplet evaporation while over-prediction was found for the case of simultaneous absorption and evaporation of droplet. Further preliminary evaluation has found the necessity to encounter the phenomenon of mass flux depression when predicting the simultaneous absorption and evaporation of droplet. This will provide a potential predictive tool for the processes which involves droplet absorption, such as antisolvent-vapor precipitation and gas scrubbing

On the effect of turbulence models on CFD simulations of a counter-current spray drying process

Accurate modeling of the flow field by means of capturing turbulence is crucial in CFD simulations. However, choosing the appropriate turbulence model remains quite challenging for simulating spray drying applications. Only a few studies have touched on this issue, although experimentally validated comparisons throughout the dryer are rare. This work aims to provide an assessment of five different turbulence models (RNG k − ε standard, BSL and SST k − ω as well as transition SST) in terms of the predicted flow field throughout a lab-scale counter-current spray dryer. None of the tested models could initially provide a satisfactory match with locally measured temperatures within the chamber. The popular choice RNG k − ε model led to highest discrepancies, while the k − ω variants performed only slightly better. All these models under-predicted the dissipation of the central hot air jet. Modification to the k − ω variant's characteristic constant to allow increased production of turbulence led to satisfactory agreement between the measurements and simulation results. Extended analysis revealed that different turbulence models produced significantly different drying histories. Only the k − ω SST variant with modified constant could provide predictions close to measured outlet particle moisture content and air conditions. The RNG model proved unsuitable due to unrealistic results with particle injection as well. The differences in predictions with injection among the models were attributed to different transient self-sustained air fluctuation behavior predicted within the chamber. This work will be useful in the selection of turbulence models which is fundamental to accurate CFD modeling of spray dryers

On the importance of droplet shrinkage in CFD-modeling of spray drying

Shrinkage behavior or the change of droplet diameter in the course of drying is quite diverse and has been the focus of many studies due to its crucial importance in accurate modeling of spray drying. However, the specific impacts of capturing it while performing computational fluid dynamics simulations have not yet been investigated comprehensively. Therefore, this work aimed to directly compare predictions obtained by the perfect shrinkage and linear shrinkage models. As compared to linear shrinkage, the assumption of perfect shrinkage led to a decrease in the surface area as well as an increase in the transport coefficients, resulting in an overall decrease in drying rate. Furthermore, the predicted particle size distribution was significantly affected by the implemented shrinkage model, while contrary to the expectation commonly expressed in the literature, the residence time of the particles was similar for the investigated pilot-scale dryer. Considerable difference ascertained in predicted drying histories, particularly for larger droplets, led to the conclusion that the assumption of perfect shrinkage leads to overprediction of particle stickiness and underestimation of drying rates. This difference is particularly important in modeling phenomena like agglomeration and particle–wall deposition

Numerical simulation of mono-disperse droplet spray dryer under the influence of nozzle motion

With the increasing demand of uniform particles in the fields of medicine etc., the research on monodisperse droplet spray dryer (MDSD) becomes important. The drying efficiency of the current MDSD facility has to be improved to realize industrial applications. In this work, the influence of several kinds of nozzle movement on the drying process has been thoroughly explored by silico experiments. It is found that the velocity of the nozzle movement plays a key role in drying efficiency improvement. The movement of the nozzle leads to a wider distribution of the final moisture content of particles, and this effect becomes less significant with the increase of the velocity of nozzle motion. For all motion types under investigation, the circular motion is superior to the other motion types. It is revealed that the change of droplet dispersion state due to nozzle motion is the main factor that improves drying performance

Comparison of the effects of edge functionalized graphene oxide membranes on monovalent cation selectivity

Layer-by-layer graphene oxide (GO) membrane in principle has great potential in separating Li+ from monovalent cations, which is achieved by their functionalized interlayer entrance. The edge effects on different monovalent ions, however, are not fully understood. Therefore, molecular dynamics simulations were utilized in this study to separately elucidate the filtration effects of three typical edge functional groups, which were carboxyl (COOH), hydroxyl (OH), and hydrogen (H), on the LiCl, NaCl, and KCl solutions. The results revealed that the water permeance was dominantly influenced by the steric size of edge functional groups. It could also be affected by the ions blocked at the entrance. The drastic dehydration of the hydrated Na+ and K+ caused by the OH edge required more energy that led to higher ion rejection. The compressed-dehydrated hydration shell, which was tuned by the edge functional groups, introduced repulsion from Na+ and attraction from Li+ on Cl− when they were 3–5 Å away from each other. It would be strategic to use all three edge functional groups to retain NaCl in the retentate stream while allowing selective permeance of LiCl and the OH edge could additionally retain KCl

Relationship between Desalination Performance of Graphene Oxide Membranes and Edge Functional Groups

High desalination efficiency in principle could be achieved by layer-by-layer graphene oxide (GO) membranes, which benefits from their entrance-functionalized channels assembled by edge-functionalized GO nanosheets. The effects of these edge functional groups on desalination, however, are not fully understood yet. To study the isolated influence of three typical edge functional groups, namely, carboxyl (-COOH), hydroxyl (-OH), and hydrogen (-H), molecular dynamics simulation was used in this work. The results revealed that the edge volumetric blockage effect, resulting in ion permeability at G-H > G-OH > G-COOH membranes, was the dominant mechanistic effect inside the GO membranes with 7 Å interlayer channels. The OH edge has the same effect as the H edge in NaCl/water selectivity because of a unique "ion pulling" effect. Moreover, the OH and H edge-functionalized membranes with 7 Å interlayer channels showed preferential Na+ and Cl- rejections, respectively. This kind of preference leads to a cycle of charging and neutralization in the penetrant reservoir throughout the filtration process. The results from this work suggested that it would be strategic to keep the COOH and H edge functional groups, to maintain the size of interlayer channels in order to stimulate the effects of edge functional groups, and to increase the membrane porosity for designing higher desalination efficiency GO membranes

Disparities and risks of sexually transmissible infections among men who have sex with men in China: a meta-analysis and data synthesis.

BACKGROUND: Sexually transmitted infections (STIs), including Hepatitis B and C virus, are emerging public health risks in China, especially among men who have sex with men (MSM). This study aims to assess the magnitude and risks of STIs among Chinese MSM. METHODS: Chinese and English peer-reviewed articles were searched in five electronic databases from January 2000 to February 2013. Pooled prevalence estimates for each STI infection were calculated using meta-analysis. Infection risks of STIs in MSM, HIV-positive MSM and male sex workers (MSW) were obtained. This review followed the PRISMA guidelines and was registered in PROSPERO. RESULTS: Eighty-eight articles (11 in English and 77 in Chinese) investigating 35,203 MSM in 28 provinces were included in this review. The prevalence levels of STIs among MSM were 6.3% (95% CI: 3.5-11.0%) for chlamydia, 1.5% (0.7-2.9%) for genital wart, 1.9% (1.3-2.7%) for gonorrhoea, 8.9% (7.8-10.2%) for hepatitis B (HBV), 1.2% (1.0-1.6%) for hepatitis C (HCV), 66.3% (57.4-74.1%) for human papillomavirus (HPV), 10.6% (6.2-17.6%) for herpes simplex virus (HSV-2) and 4.3% (3.2-5.8%) for Ureaplasma urealyticum. HIV-positive MSM have consistently higher odds of all these infections than the broader MSM population. As a subgroup of MSM, MSW were 2.5 (1.4-4.7), 5.7 (2.7-12.3), and 2.2 (1.4-3.7) times more likely to be infected with chlamydia, gonorrhoea and HCV than the broader MSM population, respectively. CONCLUSION: Prevalence levels of STIs among MSW were significantly higher than the broader MSM population. Co-infection of HIV and STIs were prevalent among Chinese MSM. Integration of HIV and STIs healthcare and surveillance systems is essential in providing effective HIV/STIs preventive measures and treatments. TRIAL REGISTRATION: PROSPERO NO: CRD42013003721

Understanding the formation of ultrafine maltodextrin particles under simultaneous convective drying and antisolvent vapour precipitation

Research on simultaneous antisolvent-vapour-induced precipitation and convective drying of a solute-containing droplet was extensively conducted since this technique was introduced. However, the internal droplet compositions, which were suggested to be related to the formation of particle morphologies, had not been explored. Herein, the ethanol-vapour-induced precipitation of multi-solvent droplets containing maltodextrin as the solute was used to analyse internal droplet compositions. The droplet mass and diameter profiles were obtained via an established single-droplet drying experiment, which mimicked the spray drying of droplets. Analysis revealed that the antisolvent concentration increased with time and was higher than solvent concentration towards the end of the process. It is interesting to find out that the final particle morphology was profoundly impacted by the ambient ethanol humidity and also how spontaneous the subsequent drying was during ethanol-vapour-induced precipitation of the solutes. The formation of the porous structure was favoured with the occurrence of spontaneous vaporization once the ethanol was present for precipitation. Therefore, low ethanol humidity (20% ERH in this study) was sufficient. In contrast, higher ethanol humidity (>70% ERH) was preferable to produce spherical particles. This study provides an insight into particle engineering to unveil the internal droplet conditions and physical phenomena during this unique process