This work reviews the development of computational fluid dynamics (CFD) modeling for hydrogen separation, with a focus on high temperature membranes to address industrial requirements in terms of membrane systems as contactors, or in membrane reactor arrangements. CFD modeling of membranes attracts interesting challenges as the membrane provides a discontinuity of flow, and therefore cannot be solved by the Navier-Stokes equations. To address this problem, the concept of source has been introduced to understand gas flows on both sides or domains (feed and permeate) of the membrane. This is an important solution, as the gas flow and concentrations in the permeate domain are intrinsically affected by the gas flow and concentrations in the feed domain and vice-versa. In turn, the source term will depend on the membrane used, as different membrane materials comply with different transport mechanisms, in addition to varying gas selectivity and fluxes. This work also addresses concentration polarization, a common effect in membrane systems, though its significance is dependent upon the performance of the membrane coupled with the operating conditions. Finally, CFD modeling is shifting from simplified single gas simulation to industrial gas mixtures, when the mathematical treatment becomes more complex.

This review provides a comprehensive account of energy efficient lighting devices, their working principles and the advancement of these materials as an underpinning to the development of technology. Particular attention has been given to solid state lighting devices and their applications since they have attracted the most interest and are the most promising. Solid state lighting devices including white light emitting diodes (LEDs), organic LEDs (OLEDs), quantum-dot LEDs (QLEDs) and carbon-dot LEDs (CLEDs) are promising energy efficient lighting sources for displays and general lighting. However there is no universal solution that will give better performance and efficiency for all types of applications. LEDs are replacing traditional lamps for both general lighting and display applications, whereas OLEDs are finding their own special applications in various areas. QLEDs and CLEDs have advantages such as high quantum yields, narrow emission spectra, tunable emission spectra and good stability over OLEDs, so applications for these devices are being extended to new types of lighting sources. There is a great deal of research on these materials and their processing technologies and the commercial viability of these technologies appears strong.

There is a great demand for a sufficient and sustainable energy supply. Hence, the search for applicable hydrogen storage materials is extremely important owing to the diversified merits of hydrogen energy. In this regard, ammonia borane (NH₃BH₃, AB) containing 19.6 wt-% hydrogen has been considered as a promising material for hydrogen storage applications to realize the “hydrogen economy”, but with limits from slow kinetics of hydrogen release and by-product of trace gases such as ammonia and borazine. In this review, we introduce the recent research on AB, regarding to the nanoconfinement effect on improving the kinetics at a relatively low temperature and the prevention/reduction of undesirable gas formation.

This study focuses on the loading of catalytic materials, e.g., palladium on the surface of supporting materials, with the aim to obtain catalysts with high activity for methane combustion. The catalyst PdO/CeO₂-Al₂O₃ was prepared by impregnation under ultrasonic condition. The effect of different activation methods on the activity of catalysts for methane catalytic combustion was tested. The properties of reaction and adsorption of oxygen species on catalyst surface were characterized by H₂-temperature programmed reduction (H₂-TPR), and O₂-temperature programmed desorption (O₂-TPD). Furthermore, the sulfur tolerance and sulfur poisoning mode were investigated. The results indicate that the catalyst PdO/CeO₂-Al₂O₃ activated with rapid activation shows higher activity for methane combustion and better sulfur tolerance. The result of sulfur content analysis shows that there is a large number of sulfur species on the catalyst’s surface after reactivation at high temperature. It proves that the activity of catalysts cannot be fully restored by high-temperature reactivation.

An effective method for the regeneration of thermally deactivated commercial monolith SCR catalysts was investigated. Two types of regenerated solutions, namely NH₄Cl (1 mol/L) and dilute H₂SO₄ (0.5 mol/L), were employed to treat the used catalyst. The effects of temperature and the regeneration process on the structural and textural properties of the catalysts were determined by X-ray diffraction, scanning electron microscopy, N₂ adsorption/desorption, elemental analysis and Fourier transform infrared spectroscopy. The results suggest that the anatase phase of the used catalyst is maintained after exposure to high temperatures. Some of the catalytic activity was restored after regeneration. The catalyst regenerated by aqueous NH₄Cl had a higher activity than that of the catalyst treated by dilute H₂SO₄. The main reason is that the NH₃ generated from the decomposition of NH₄Cl at high temperatures can be adsorbed onto the catalyst which promotes the reaction. The aggregated V₂O₅ were partially re-dispersed during the regeneration process, and the intrinsic oxidation of ammonia with high concentrations of O₂ is a factor that suppresses the catalytic activity.

Cu/ZrO₂ catalysts for methanol synthesis from CO₂/H₂ were respectively prepared by deposition coprecipitation (DP) and solid state reaction (SR) methods. There is an intimate interaction between copper and zirconia, which strongly affects the reduction property and catalytic performance of the catalysts. The stronger the interaction, the lower the reduction temperature and the better the performance of the catalysts. Surface area, pore structure and crystal structure of the catalysts are mainly controlled by preparation methods and alkalinity of synthesis system. The conversion of CO₂ and selectivity of methanol are higher for DP catalysts than for SP catalysts.

A nano-structured TiO₂ with rutile phase was synthesized by using the hydrothermal method from a titanium carbide (TiC) nano-powder precursor at low temperature to produce a stable visible light responsive photocatalyst. The rutile phase was formed at temperature as low as 100°C, and both synthesis time and temperature affected its formation. The rutile particles showed a faceted nano-rod structure, and were tested for absorption and photo-degradation ability under visible light. Particles with shorter synthesis times showed higher visible light absorption and corresponding photo-degradation ability, while those synthesized at lower temperatures had lower, but still evident, degradation ability under visible light.

Equilibrium, kinetic and thermodynamic aspects of the adsorption of copper ions from an aqueous solution using linear alkylbenzene sulfonate (LABORATORIES) modified bentonite (organo-bentonite) are reported. Modification of bentonite was performed via microwave heating with a concentration of LABORATORIES surfactant equivalent to 1.5 times that of the cation exchange capacity (CEC) of the raw bentonite. Experimental parameters affecting the adsorption process such as pH, contact time and temperature were studied. Several adsorption equations (e.g., Langmuir, Freundlich, Sips and Toth) with temperature dependency were used to correlate the equilibrium data. These models were evaluated based on the theoretical justifications of each isotherm parameter. The Sips model had the best fit for the adsorption of copper ions onto organo-bentonite. For the kinetic data, the pseudo-second order model was superior to the pseudo-first order model. Thermodynamically, the adsorption of copper ions occurs via chemisorption and the process is endothermic (ΔH⁰>0), irreversible (ΔS⁰>0) and nonspontaneous (ΔG⁰>0).

Advanced integrated-gasification combined-cycle (IGCC) and integrated-gasification fuel cell (IFGC) systems require high-temperature sorbents that are capable of removing hydrogen chloride and hydrogen sulfide from coal derived gases to very low levels. HCl and H₂S are highly reactive, corrosive, and toxic gases that must be removed to meet stringent environmental regulations, to protect power generation equipment and to control the emissions of contaminants. The thermodynamic behavior of 13 sorbents for the removal of HCl and H₂S under various conditions including: initial toxic gas concentration (1–10000 ppm), operating pressure (0.1–11 Mpa), temperature (300 K–1500 K), and the presence of H₂O were investigated. The correlation between HCl and H₂S was also examined. Thermodynamic calculations were carried out for the reactions of the 13 sorbents using a FactSage 5.2 software package based on free energy minimization. The sorbents, Na₂CO₃, NaHCO₃, K₂CO₃, and CaO are capable of completely removing chlorine at high temperatures (up to ~1240 K) and at high pressures. Water vapor did not have any significant effects on the dechlorination capability of the sorbents. Nine of the sorbents namely; Cu₂O, Na₂CO₃, NaHCO₃, K₂CO₃, CaO, ZnO, MnO, FeO, and PbO, were determined to have great potential as desulfurization sorbents. Cu₂O and ZnO had the best performance in terms of the optimum operating temperature. The addition of water vapor to the reactant gas produces a slightly detrimental effect on most of the sorbents, but FeO exhibited the worst performance with a reduction in the maximum operating temperature of about 428 K. The dechlorination performance of the alkali sorbents was not affected by the presence of H₂S in the reactions. However, the desulfurization capability of some sorbents was greatly affected by the presence of HCl. Particularly, the performance of Cu₂O was significantly reduced when HCl was present, but the performance of FeO improved remarkably. The thermodynamic results gathered are valuable for the developments of better sorbents.

Gasification of coal or biomass with in situ CO₂ capture simultaneously allows production of clean hydrogen at relatively low cost and reduced emission of CO₂ into the atmosphere. Clearly, this technology has a great potential for a future carbon constrained economy. Therefore, the development of a comprehensive, physically-based gasifier model is important. The sub-models that describe reactive transport processes in coal particles as well as in particles of CO₂ sorbent material are among the key sub-models, which provide a necessary input for an overall gasifier model. Both coal and sorbent are materials that have complicated pore structures. The porous conditional moment closure (PCMC) model proves to be adequate for modeling reactive transport through porous media with fixed pore structure. Consumption of coal in the heterogeneous gasification reaction, however, widens the pores and reduces the surface area available for this reaction. At the same time, formation of a carbonate layer narrows the pores in the sorbent material and reduces the reaction rate of CO₂ sorption. In both cases the pore structures are affected. Such changes are not taken into account in the existing PCMC model. In this study, we obtain the parameters of the diffusive tracer distribution based on the pore size distribution given by the widely applied random pore model (RPM), while coupling PCMC with RPM. Such coupling allows taking into account changes in pore structure caused by heterogeneous reactions and thus improves the accuracy of these key sub-models.

Gas adsorption-induced coal swelling is a well-know phenomenon. Coal swelling or shrinkage by adsorption or desorption of water vapor has not been well understood but has significant implications on gas drainage process for underground coal mining and for primary and enhanced coalbed methane production. Decreased matrix moisture content leads to coal shrinkage and thus the change of cleat porosity and permeability under reservoir conditions. Unlike gas adsorption in coal which usually forms a single layer of adsorbed molecules, water vapor adsorption in the coal micropores forms multilayer of adsorbed molecules. In this work, a model has been developed to describe the coal swelling strain with respect to the amount of moisture intake by the coal matrix. The model extended an energy balance approach for gas adsorption-induced coal swelling to water vapor adsorption-induced coal swelling, assuming that only the first layer of adsorbed molecules of the multilayer adsorption changes the surface energy, which thus causes coal to swell. The model is applied to describe the experimental swelling strain data measured on an Australian coal. The results show good agreement between the model and the experimental data.

Large amounts of energy are consumed during the manufacturing of cement especially during the calcination process which also emits large amounts of CO₂. A large part of the energy used in the making of cement is released as waste heat. A process to capture CO₂ by integrating the recovery and utilization of waste heat has been designed. Aspen Plus software was used to calculate the amount of waste heat and the efficiency of energy utilization. The data used in this study was based on a dry process cement plant with a 5-stage preheater and a precalciner with a cement output of 1 Mt/y. According to the calculations: 1) the generating capacity of the waste heat recovery system is 4.9 MW. 2) The overall CO₂ removal rate was as high as 78.5%. 3) The efficiency of energy utilization increased after the cement producing process was retrofitted with this integrated design.

Among the semiconductors, titanium dioxide has been identified as an effective photocatalyst due to its abundance, low cost, stability, and superior electronic energy band structure. Highly ordered nanotube arrays of titania were produced by anodization and mild sonication. The band gap energy of the titania nanotube arrays was reduced to 2.6 eV by co-doping with Fe, C, N atoms using an electrolyte solution containing K₃Fe(CN)₆. The photoconversion of phenol in a batch photoreactor increased to more than 18% based on the initial concentration of phenol by using a composite nanomaterial consisting of titania nanotube arrays and Pt/ZIF-8 nanoparticles. A layer-by-layer assembly technique for the deposition of titania nanoparticles was developed to fabricate air filters for the degradation of trace amounts of toluene in the air and preparation of superhyrophobic surfaces for oil-water separation and anti-corrosion surfaces.