Enhanced gaseous hydrogen solubility in ferritic and martensitic steels at low temperatures

Metals that are exposed to high pressure hydrogen gas may undergo detrimental failure by embrittlement. Understanding the mechanisms and driving forces of hydrogen absorption on the surface of metals is crucial for avoiding hydrogen embrittlement. In this study, the effect of stress-enhanced gaseous hydrogen uptake in bulk metals is investigated in detail. For that purpose, a generalized form of Sievert's law is derived from thermodynamic potentials considering the effect of microstructural trapping sites and multiaxial stresses. This new equation is parametrized and verified using experimental data for carbon steels, which were charged under gaseous hydrogen atmosphere at pressures up to 1000 bar. The role of microstructural trapping sites on the parameter identification is critically discussed. Finally, the parametrized equation is applied to calculate the stress-enhanced hydrogen solubility of thin-walled pipelines and thick-walled pressure vessels during service.     

Structural analysis and optimization of a tethered swept wing for airborne wind energy generation

In this paper, we present an aero‐structural model of a tethered swept wing for airborne wind energy generation. The carbon composite wing has neither fuselage nor actuated aerodynamic control surfaces and is controlled entirely from the ground using three separate tethers. The computational model is efficient enough to be used for weight optimisation at the initial design stage. The main load‐bearing wing component is a nontypical “D”‐shaped wing‐box, which is represented as a slender carbon composite shell and further idealised as a stack of two‐dimensional cross section models arranged along an anisotropic one‐dimensional beam model. This reduced 2+1D finite element model is then combined with a nonlinear vortex step method that determines the aerodynamic load. A bridle model is utilised to calculate the individual forces as a function of the aerodynamic load in the bridle lines that connect the main tether to the wing. The entire computational model is used to explore the influence of the bride on the D‐box structure. Considering a reference D‐box design along with a reference aerodynamic load case, the structural response is analysed for typical bridle configurations. Subsequently, an optimisation of the internal geometry and laminate fibre orientations is carried out using the structural computation models, for a fixed aerodynamic and bridle configuration. Aiming at a minimal weight of the wing structure, we find that for the typical load case of the system, an overall weight savings of approximately 20% can be achieved compared with the initial reference design.     

Psychrophilic hydrogen production from petrochemical wastewater via anaerobic sequencing batch reactor: techno-economic assessment and kinetic modelling

Independent hydrogen production from petrochemical wastewater containing mono-ethylene glycol (MEG) via anaerobic sequencing batch reactor (ASBR) was extensively assessed under psychrophilic conditions (15–25 °C). A lab-scale ASBR was operated at pH of 5.50, and different organic loading rates (OLR) of 1.00, 1.67, 2.67, and 4.00 gCOD/L/d. The hydrogen yield (HY) progressed from 134.32 ± 10.79 to 189.09 ± 22.35 mL/gMEG_initial at increasing OLR from 1.00 to 4.00 gCOD/L/d. The maximum hydrogen content of 47.44 ± 3.60% was achieved at OLR of 4.0 gCOD/L/d, while methane content remained low (17.76 ± 1.27% at OLR of 1.0 gCOD/L/d). Kinetic studies using four different mathematical models were conducted to describe the ASBR performance. Furthermore, two batch-mode experiments were performed to optimize the nitrogen supplementation as a nutrient (C/N ratio), and assess the impact of salinity (as gNaCl/L) on hydrogen production. HY substantially dropped from 62.77 ± 4.09 to 6.02 ± 0.39 mL/gMEG_initial when C/N ratio was increased from 28.5 to 114.0. Besides, the results revealed that salinity up to 10.0 gNaCl/L has a relatively low inhibitory impact on hydrogen production. Eventually, the cost/benefit analysis showed that environmental and energy recovery revenues from ASBR were optimized at OLR of 4.0 gCOD/L/d (payback period of 7.13 yrs).     

Stochastic free vibration analyses of composite shallow doubly curved shells – A Kriging model approach

This paper presents the Kriging model approach for stochastic free vibration analysis of composite shallow doubly curved shells. The finite element formulation is carried out considering rotary inertia and transverse shear deformation based on Mindlin’s theory. The stochastic natural frequencies are expressed in terms of Kriging surrogate models. The influence of random variation of different input parameters on the output natural frequencies is addressed. The sampling size and computational cost is reduced by employing the present method compared to direct Monte Carlo simulation. The convergence studies and error analysis are carried out to ensure the accuracy of present approach. The stochastic mode shapes and frequency response function are also depicted for a typical laminate configuration. Statistical analysis is presented to illustrate the results using Kriging model and its performance.     

Ultrasonic tomographic velocimeter for visualization of axial flow fields in pipes

An ultrasonic tomographic velocimeter to provide quantitative images of axial flow fields in pipes is developed and presented in this work. To detect the flow in various directions and positions, a novel transducer configuration strategy is proposed. All-in-one transducers are mounted in two sectional planes of the pipe. In each plane, N transducers are equally spaced along the circumference. Overlapped propagation paths are introduced by the configuration strategy, and the influence of the vortex flow can be eliminated theoretically by averaging the line velocities of the overlapped paths. To achieve a fast detection speed, the projection data is collected via an electrical scan in a fan-beam mode. After rearrangement and interpolation of the projection data, the parallel beam filtered back projection (FBP) algorithm is implemented to reconstruct the axial flow field. Numerical simulations with the theoretical velocity profiles were performed. The compensation method for the vortex flow is proved to be effective and necessary, and the number of transducers required for reconstruction of common flow profiles was estimated. Accordingly, an ultrasonic tomographic velocimeter consisting of 2×12 transducers was fabricated. Experiments were conducted in the straight pipe and downstream of a single bend pipe and compared with the computational fluid dynamics (CFD) simulation results. As demonstrated, the ultrasonic tomographic velocimeter was capable of visualizing both symmetric and asymmetric axial flow fields with high reliability.     

A GIS plug-in for Bayesian belief networks: Towards a transparent software framework to assess and visualise uncertainties in ecosystem service mapping

The complexity and spatial heterogeneity of ecosystem processes driving ecosystem service delivery require spatially explicit models that take into account the different parameters affecting those processes. Current attempts to model ecosystem service delivery on a broad, regional scale often depend on indicator-based approaches that are generally not able to fully capture the complexity of ecosystem processes. Moreover, they do not allow quantification of uncertainty on their predictions. In this paper, we discuss a QGIS plug-in which promotes the use of Bayesian belief networks for regional modelling and mapping of ecosystem service delivery and associated uncertainties. Different types of specific Bayesian belief network output maps, delivered by the plug-in, are discussed and their decision support capacities are evaluated. This plug-in, used in combination with firmly developed Bayesian belief networks, has the potential to add value to current spatial ecosystem service accounting methods. The plug-in can also be used in other research domains dealing with spatial data and uncertainty.     

Blocked crystallization in capped ultrathin polymer films studied by molecular simulations

The crystallization of capped ultrathin polymer films is closely dependent on film thickness and interfacial interaction. Using dynamic Monte Carlo simulations, the crystallization behaviors of polymer films confined between two substrates were investigated. The crystallization rate of confined polymers is reduced with high interfacial interactions. Above a critical strength of interfacial interaction, polymer crystallization in the thin film is inhibited within the simulation time scales. An increase in film thickness leads to a rise in critical interfacial interaction. In thicker films, the chains have more space to change conformation to form crystal stems. In addition, there are fewer absorbed segments in confined chains for the thicker films, and thus the chains have stronger ability to adjust their conformation. Therefore an increase in film thickness can cause a reduction in the entropic barrier required for the formation of crystals and thus an increase in the critical interfacial interaction. © 2018 Society of Chemical Industry     

Prediction of sediment,particulate nutrient and dissolved nutrient concentrations in a dry tropical river to provide input to a mechanistic coastal water quality model

A Generalised Additive Modelling (GAM) approach is applied to prediction of both particulate and dissolved nutrient concentrations in a wet-tropical river (the Fitzroy River, Queensland, Australia). In addition to covariant terms considered in previous work (i.e. flow, discounted flow and a rising-falling limb term), we considered several new potential covariates: meteorological and hydrological variables that are routinely monitored, available in near-real time, and were considered to have potential predictive power. Of the additional terms considered, only flows from three tributaries of the Fitzroy River (namely, the Nogoa, Comet and Isaac Rivers) were found to significantly improve the model. Inclusion of one or more of these additional flow terms greatly improved results for dissolved nitrogen and dissolved phosphorus concentrations, which were not otherwise amenable to prediction. In particular, the Nogoa sub-catchment, dominated by pasture for cattle, was found to be important in determining dissolved inorganic nitrogen and phosphorus concentrations reaching the river mouth. This insight may direct further research, including future refinement of processed-based catchment models. The GAMs described here are used to provide near real-time river boundary conditions for a complex coupled hydrodynamic and biogeochemical model of the Great Barrier Reef Lagoon, and can be coupled with a forecasting hydrological model to allow integrated forecasting simulations of the catchment to coast system.     

Reliability of complex chemical engineering processes

This paper presents a stochastic performance modelling approach that can be used to optimise design and operational reliability of complex chemical engineering processes. The framework can be applied to processes comprising multiple units, including the cases where closed form process performance functions are unavailable or difficult to derive from first principles, which is often the case in practice. An interface that facilitates automated two-way communication between Matlab^® and process simulation environment is used to generate large process responses. The resulting constrained optimisation problem is solved using both Monte Carlo Simulation (MCS) and First Order Reliability Method (FORM); providing a wide range of stochastic process performance measures. Adding such capabilities to traditional deterministic process simulators provides a more informed basis for selecting optimum design factors; giving a simple way of enhancing overall process reliability and cost-efficiency. Two case study systems are considered to highlight the applicability and benefits of the approach.     

A simulation study of reduction kinetics for sponge iron production in a rotary hearth furnace

ABSTRACT

A mathematical model has been developed by coupling genetic algorithm (GA) with heat and material balance equations to estimate rate parameters and solid-phase evolution related to the reduction of iron ore-coal composite pellets in a multi-layer bed Rotary hearth Furnace (RHF). The present process involves treating iron ore-coal composite pellets in a crucible over the hearth in RHF. The various solid phases evolved at the end of the process are estimated experimentally, and are used in conjunction with the model to estimate rate parameters. The predicted apparent activation energy for the wustite reduction step is found to be lower than those of the reduction of higher oxides. The thermal efficiency is found to decrease significantly with an increase in the carbon content of the pellet. Thermal efficiency was also found to increase mildly up to three layers. Multilayer bed remains as a potential design parameter to increase thermal efficiency.