Simulation and Optimization of Coal Gasification in a Moving-bed Reactor to Produce Synthesis Gas Suitable for Methanol Production Unit

This paper presents process simulation and optimization of coal gasification process in a moving-bed reactor using Pittsburgh No. 8 coal as feed. The system of differential equations for the mass and energy balances was solved using 4th-order Runge-Kutta method and optimized by non-dominated sorting genetic algorithm-II (NSGA-II) method. The simulation was used to predict solid and gas temperature profile and gas composition along the reactor. The simulation results were compared successfully with experimental data relevant to Westfield plant in Scotland. In addition, the effect of operating parameters such as coal-to-oxygen molar ratio, steam-to-oxygen molar ratio, inlet gas temperature, reactor pressure, and oxygen mole fraction in inlet air on amount of synthesis gas (syngas) production, hydrogen to carbon monoxide molar ratio (HCMR) in produced syngas, and coal conversion was investigated. Finally, the reactor performance was optimized to produce the highest syngas production with a HCMR of two using NSGA-II method. This work is licensed under a Creative Commons Attribution 4.0 International License

Simulating and Optimizing Hydrogen Production by Low-pressure Autothermal Reforming of Natural Gas using Non-dominated Sorting Genetic Algorithm-II

Conventional hydrogen production plants consist of natural gas steam reforming to CO+3H2 on Ni catalysts in a furnace, water-gas shift reaction for converting CO into CO2 and CO2 absorption. A new alternative method for highly endothermic steam reforming is autothermal reforming (steam reforming with air input to the reactor) without the need for external heating. In this study, hydrogen production by autothermal reforming for fuel cells (base case) was simulated based on a heterogeneous and one-dimensional model. In addition, the effect of operating variables on the system behavior was studied. Finally, Pareto-optimal solutions for the maximum molar flow rate of the produced hydrogen and methane conversion were determined by NSGA-II. There was a huge increase in the produced hydrogen molar flow to the base case, which showed the importance of optimizing autothermal reformers for hydrogen production

Reversible hydration of CH(3)NH(3)Pbl(3) in films, single crystals, and solar cells

Solar cells composed of methylammonium lead iodide perovskite (MAPI) are notorious for their sensitivity to moisture. We show that (i) hydrated crystal phases are formed when MAPI is exposed to water vapor at room temperature and (ii) these phase changes are fully reversed when the material is subsequently dried. The reversible formation of CH3NH3PbI3·H2O followed by (CH3NH3)4PbI6·2H2O (upon long exposure times) was observed using time-resolved XRD and ellipsometry of thin films prepared using “solvent engineering”, single crystals, and state-of-the-art solar cells. In contrast to water vapor, the presence of liquid water results in the irreversible decomposition of MAPI to form PbI2. MAPI changes from dark brown to transparent on hydration; the precise optical constants of CH3NH3PbI3·H2O formed on single crystals were determined, with a bandgap at 3.1 eV. Using the single-crystal optical constants and thin-film ellipsometry measurements, the time-dependent changes to MAPI films exposed to moisture were modeled. The results suggest that the monohydrate phase forms independent of the depth in the film, suggesting rapid transport of water molecules along grain boundaries. Vapor-phase hydration of an unencapsulated solar cell (initially Jsc ≈ 19 mA cm–2 and Voc ≈ 1.05 V at 1 sun) resulted in more than a 90% drop in short-circuit photocurrent and ∼200 mV loss in open-circuit potential; however, these losses were fully reversed after the device was exposed to dry nitrogen for 6 h. Hysteresis in the current–voltage characteristics was significantly increased after this dehydration, which may be related to changes in the defect density and morphology of MAPI following recrystallization from the hydrate. Based on our observations, we suggest that irreversible decomposition of MAPI in the presence of water vapor only occurs significantly once a grain has been fully converted to the monohydrate phase

Experimental and theoretical optical properties of methylammonium lead halide perovskites

The optical constants from the ellipsometry of single crystals of CH3NH3PbX3(X = I, Br, Cl) are interpreted with high levelab initioQSGW calculations.</p

Community engagement in deprived neighbourhoods during the COVID-19 crisis: perspectives for more resilient and healthier communities

The current COVID-19 pandemic confines people to their homes, disrupting the fragile social fabric of deprived neighbourhoods and citizen’s participation options. In deprived neighbourhoods, community engagement is central in building community resilience, an important resource for health and a prerequisite for effective health promotion programmes. It provides access to vulnerable groups and helps understand experiences, assets, needs and problems of citizens. Most importantly, community activities, including social support, primary care or improving urban space, enhance health through empowerment, strengthened social networks, mutual respect and providing a sense of purpose and meaning. In the context of inequalities associated with COVID-19, these aspects are crucial for citizens of deprived neighbourhoods who often feel their needs and priorities are ignored. In this perspectives paper, illustrated by a varied overview of community actions in the UK and The Netherlands, we demonstrate how citizens, communities and organizations may build resilience and community power. Based on in-depth discussion among the authors we distilled six features of community actions: increase in mutual aid and neighbourhood ties, the central role of community-based organizations (CBOs), changing patterns of volunteering, use of digital media and health promotion opportunities. We argue that in order to enable and sustain resilient and confident, ‘disaster-proof’, communities, areas which merit investment include supporting active citizens, new (digital) ways of community engagement, transforming formal organizations, alignment with the (local) context and applying knowledge in the field of health promotion in new ways, focussing on learning and co-creation with citizen initiatives

Rheological, physicochemical, and microstructural properties of asphalt binder modified by fumed silica nanoparticles

Warm mix asphalt (WMA) is gaining increased attention in the asphalt paving industry as an eco-friendly and sustainable technology. WMA technologies are favorable in producing asphalt mixtures at temperatures 20–60 °C lower in comparison to conventional hot mix asphalt. This saves non-renewable fossil fuels, reduces energy consumption, and minimizes vapors and greenhouse gas emissions in the production, placement and conservation processes of asphalt mixtures. At the same time, this temperature reduction must not reduce the performance of asphalt pavements in-field. Low aging resistance, high moisture susceptibility, and low durability are generally seen as substantial drawbacks of WMA, which can lead to inferior pavement performance, and increased maintenance costs. This is partly due to the fact that low production temperature may increase the amount of water molecules trapped in the asphalt mixture. As a potential remedy, here we use fumed silica nanoparticles (FSN) have shown excellent potential in enhancing moisture and aging susceptibility of asphalt binders. In this study, asphalt binder modification by means of FSN was investigated, considering the effects of short-term and long-term aging on the rheological, thermal, and microstructural binder properties. This research paves the way for optimizing WMA by nanoparticles to present enhanced green asphalt technology

Inversion symmetry and bulk Rashba effect in methylammonium lead iodide perovskite single crystals

Methylammonium lead iodide perovskite (MAPbI_3) exhibits long charge carrier lifetimes that are linked to its high efficiency in solar cells. Yet, the mechanisms governing these unusual carrier dynamics are not completely understood. A leading hypothesis—disproved in this work—is that a large, static bulk Rashba effect slows down carrier recombination. Here, using second harmonic generation rotational anisotropy measurements on MAPbI_3 crystals, we demonstrate that the bulk structure of tetragonal MAPbI_3 is centrosymmetric with I4/mcmspace group. Our calculations show that a significant Rashba splitting in the bandstructure requires a non-centrosymmetric lead iodide framework, and that incorrect structural relaxations are responsible for the previously predicted large Rashba effect. The small Rashba splitting allows us to compute effective masses in excellent agreement with experiment. Our findings rule out the presence of a large static Rashba effect in bulk MAPbI_3, and our measurements find no evidence of dynamic Rashba effects

Experimental and theoretical optical properties of methylammonium lead halide perovskites

The optical constants of methylammonium lead halide single crystals CH3NH3PbX3 (X = I, Br, Cl) are interpreted with high level ab initio calculations using the relativistic quasiparticle self-consistent GW approximation (QSGW). Good agreement between the optical constants derived from QSGW and those obtained from spectroscopic ellipsometry enables the assignment of the spectral features to their respective inter-band transitions. We show that the transition from the highest valence band (VB) to the lowest conduction band (CB) is responsible for almost all the optical response of MAPbI3 between 1.2 and 5.5 eV (with minor contributions from the second highest VB and the second lowest CB). The calculations indicate that the orientation of [CH3NH3]+ cations has a significant influence on the position of the bandgap suggesting that collective orientation of the organic moieties could result in significant local variations of the optical properties. The optical constants and energy band diagram of CH3NH3PbI3 are then used to simulate the contributions from different optical transitions to a typical transient absorption spectrum (TAS)