The oxidation of CH2O in the intermediate temperature range (943-995 K)

New atmospheric pressure flow reactor data on the oxidation of formaldehyde in the temperature range 943-995 K and over equivalence ratios from 0.013 to 36.7 are reported and discussed. A detailed mechanism assembled from previously published results produced acceptable agreement with the experimental data for the fuel-lean conditions, but failed to predict results for oxidative pyrolysis. Analysis or the very fuel-lean conditions, but failed to modelling results are principally sensitive to CH2O+HO2→HCO+H2O2 (6) and H2O2 +M→OH+OH+M (33). Whereas the specific rate of each reaction cannot be independently determined, it is found that the product k33.k6 is a well defined function of temperature: (3.4±3.0).1028 exp(-(26,800±400)/T). Inadequacies in the mechanism which may be responsible for the disagreement under fuel-rich conditions are discussed. © 1991 Combustion Institute.

Effects of gelatin on mechanical properties of hydroxyapatite-gelatin nano-composltes

A biomimetic reactor has been developed to synthesize hydroxyapatite- gelatin (HAP-GEL) nanocomposites that mimic ultra-structures of natural bone. We hypothesize that in the reactor, gelatin concentration controls morphology and packing structures of HAP crystals. To test the hypothesis, three types of mechanical tests were conducted, including nanoindentation, compression, and fracture tests. Nanoindentation tests in conjunction with computer modeling were used to assess effects on gelatin-induced microstructures of HAP. The results showed that increasing gelatin content increased both the plane strain modulus and the fracture toughness. The gelatin appeared to shorten the HAP crystal distance, which consolidated the internal structure of the composite and made the material more rigid. The fracture toughness KIC increased partially due to the effect of fiber bridging between gelatin molecules. The highest fracture toughness (1.12 MPa·1/2) was equivalent to that of pure hydroxyapatite. The compressive strength of the HAP-GEL (107.7±26.8 MPa) was, however, less sensitive to microstructural changes and was within the range of natural cortical bone (human 170 MPa, pig: 100 MPa). The compression strength was dominated by void inclusions while the nanoindentation response reflected ultra-structural arrangement of the crystals. The gelatin concentration is likely to modify crystal arrangement as demonstrated in TEM experiments but not void distribution at macroscopic levels. © 2006 Materials Research Society.

A novel method for rapid comparative quantitative analysis of nuclear fuel cycles

One of the greatest obstacles facing the nuclear industry is that of sustainability, both in terms of the finite reserves of uranium ore and the production of highly radiotoxic spent fuel which presents proliferation and environmental hazards. Alternative nuclear technologies have been suggested as a means of delivering enhanced sustainability with proposals including fast reactors, the use of thorium fuel and tiered fuel cycles. The debate as to which is the most appropriate technology continues, with each fuel system and reactor type delivering specific advantages and disadvantages which can be difficult to compare fairly. This paper demonstrates a framework of performance metrics which, coupled with a first-order lumped reactor model to determine nuclide population balances, can be used to quantify the aforementioned pros and cons for a range of different fuel and reactor combinations. The framework includes metrics such as fuel efficiency, spent fuel toxicity and proliferation resistance, and relative cycle performance is analysed through parallel coordinate plots, yielding a quantitative comparison of disparate cycles. © 2011 Elsevier Ltd. All rights reserved.

The effect of beam interruptions on the integrity of ADSR fuel pin cladding: A thermo-mechanical analysis

During its lifetime in the core, the cladding of an Accelerator Driven Subcritical Reactor (ADSR) fuel pin is expected to experience variable stresses due to frequent interruptions in the accelerator proton beam. This paper investigates the thermal fatigue damage in the cladding due to repetitive and unplanned beam interruptions under certain operational conditions. Beam trip data was obtained for four operating high power proton accelerators, among which the Spallation Neutron Source (SNS) superconducting accelerator was selected for further analysis. 9Cr-1Mo-Nb-V (T91) steel was selected as the cladding material because of its proven compatibility with proposed ADSR design concepts. The neutronic, thermal and stress analyses were performed using the PTS-ADS, a code that has been specifically developed for studying the dynamic response to beam-induced transients in accelerator driven subcritical systems. The lifetime of the fuel cladding in the core was estimated for three levels of allowed pin power and specific operating conditions. © 2012 Elsevier Ltd. All rights reserved.

Safety implications of reactivity variations in fast thorium ADSRs

Nuclear power generation offers a reliable, low-impact and large-scale alternative to fossil fuels. However, concerns exist over the safety and sustainability of this method of power production, and it remains unpopular with some governments and pressure groups throughout the world. Fast thorium fuelled accelerator-driven sub-critical reactors (ADSRs) offer a possible route to providing further re-assurance regarding these concerns on account of their properties of enhanced safety through sub-critical operation combined with reduced actinide waste production from the thorium fuel source. The appropriate sub-critical margin at which these reactors should operate is the subject of continued debate. Commercial interests favour a small sub-critical margin in order to minimise the size of the accelerator needed for a given power output, whilst enhanced safety would be better satisfied through larger sub-critical margins to further minimise the possibility of a criticality excursion. Against this background, this paper examines some of the issues affecting reactor safety inherent within thorium fuel sources resulting from the essential Th90232→Th90233→Pa91233→U92233 breeding chain. Differences in the decay half-lives and fission and capture cross-sections of 233Pa and 233U can result in significant changes in the reactivity of the fuel following changes in the reactor power. Reactor operation is represented using a homogeneous lumped fast reactor model that can simulate the evolution of actinides and reactivity variations to first-order accuracy. The reactivity of the fuel is shown to increase significantly following a loss of power to the accelerator. Where the sub-critical operating margins are small this can result in a criticality excursion unless some form of additional intervention is made, for example through the insertion of control rods. © 2012 Elsevier Ltd. All rights reserved.

Local synthesis and alignment of zinc oxide nanowires in aqueous solution using microheaters

A bottom-up technique for synthesizing transversely suspended zinc oxide nanowires (ZnO NWs) under a zinc nitrate (Zn(NO 3) 2· 6H 2O) and hexamethylenetetramine (HMTA, (CH 2) 6·N 4) solution within a microfabricated device is reported in this paper. The device consists of a microheater which is used to initially create an oxidized ZnO seed layer. ZnO NWs are then locally synthesized by the microheater and electrodes embedded within the devices are used to drive electric field directed horizontal alignment of the nanowires within the device. The entire process is carried out at low temperature. This approach has the potential to considerably simplify the fabrication and assembly of ZnO nanowires on CMOS compatible substrates, allowing for the chemical synthesis to be carried out under near-ambient conditions by locally defining the conditions for nanowire growth on a silicon reactor chip. © 2012 IEEE.

Thermal plasma synthesis of superparamagnetic iron oxide nanoparticles

Superparamagnetic iron oxide nanoparticles were synthesized by injecting ferrocene vapor and oxygen into an argon/helium DC thermal plasma. Size distributions of particles in the reactor exhaust were measured online using an aerosol extraction probe interfaced to a scanning mobility particle sizer, and particles were collected on transmission electron microscopy (TEM) grids and glass fiber filters for off-line characterization. The morphology, chemical and phase composition of the nanoparticles were characterized using TEM and X-ray diffraction, and the magnetic properties of the particles were analyzed with a vibrating sample magnetometer and a magnetic property measurement system. Aerosol at the reactor exhaust consisted of both single nanocrystals and small agglomerates, with a modal mobility diameter of 8-9 nm. Powder synthesized with optimum oxygen flow rate consisted primarily of magnetite (Fe 3O 4), and had a room-temperature saturation magnetization of 40.15 emu/g, with a coercivity and remanence of 26 Oe and 1.5 emu/g, respectively. © Springer Science+Business Media, LLC 2011.

Validation of a lattice Boltzmann model for gas-solid reactions with experiments

A lattice Boltzmann method is used to model gas-solid reactions where the composition of both the gas and solid phase changes with time, while the boundary between phases remains fixed. The flow of the bulk gas phase is treated using a multiple relaxation time MRT D3Q19 model; the dilute reactant is treated as a passive scalar using a single relaxation time BGK D3Q7 model with distinct inter- and intraparticle diffusivities. A first-order reaction is incorporated by modifying the method of Sullivan et al. [13] to include the conversion of a solid reactant. The detailed computational model is able to capture the multiscale physics encountered in reactor systems. Specifically, the model reproduced steady state analytical solutions for the reaction of a porous catalyst sphere (pore scale) and empirical solutions for mass transfer to the surface of a sphere at Re=10 (particle scale). Excellent quantitative agreement between the model and experiments for the transient reduction of a single, porous sphere of Fe 2O 3 to Fe 3O 4 in CO at 1023K and 10 5Pa is demonstrated. Model solutions for the reduction of a packed bed of Fe 2O 3 (reactor scale) at identical conditions approached those of experiments after 25 s, but required prohibitively long processor times. The presented lattice Boltzmann model resolved successfully mass transport at the pore, particle and reactor scales and highlights the relevance of LB methods for modelling convection, diffusion and reaction physics. © 2012 Elsevier Inc.

Accelerator-induced transients in Accelerator Driven Subcritical Reactors

Achieving higher particles energies and beam powers have long been the main focus of research in accelerator technology. Since Accelerator Driven Subcritical Reactors (ADSRs) have become the subject of increasing interest, accelerator reliability and modes of operation have become important matters that require further research and development in order to accommodate the engineering and economic needs of ADSRs. This paper focuses on neutronic and thermo-mechanical analyses of accelerator-induced transients in an ADSR. Such transients fall into three main categories: beam interruptions (trips), pulsed-beam operation, and beam overpower. The concept of a multiple-target ADSR is shown to increase system reliability and to mitigate the negative effects of beam interruptions, such as thermal cyclic fatigue in the fuel cladding and the huge financial cost of total power loss. This work also demonstrates the effectiveness of the temperature-to-reactivity feedback mechanisms in ADSRs. A comparison of shutdown mechanisms using control rods and beam cut-off highlights the intrinsic safety features of ADSRs. It is evident that the presence of control rods is crucial in an industrial-scale ADSR. This paper also proposes a method to monitor core reactivity online using the repetitive pattern of beam current fluctuations in a pulsed-beam operation mode. Results were produced using PTS-ADS, a computer code developed specifically to study the dynamic neutronic and thermal responses to beam transients in subcritical reactor systems. © 2012 Elsevier B.V.

CFD modeling of single-phase flow in a packed bed with MRI validation

Computational fluid dynamics (CFD) simulations are becoming increasingly widespread with the advent of more powerful computers and more sophisticated software. The aim of these developments is to facilitate more accurate reactor design and optimization methods compared to traditional lumped-parameter models. However, in order for CFD to be a trusted method, it must be validated using experimental data acquired at sufficiently high spatial resolution. This article validates an in-house CFD code by comparison with flow-field data obtained using magnetic resonance imaging (MRI) for a packed bed with a particle-to-column diameter ratio of 2. Flows characterized by inlet Reynolds numbers, based on particle diameter, of 27, 55, 111, and 216 are considered. The code used employs preconditioning to directly solve for pressure in low-velocity flow regimes. Excellent agreement was found between the MRI and CFD data with relative error between the experimentally determined and numerically predicted flow-fields being in the range of 3-9%. © 2012 American Institute of Chemical Engineers (AIChE).

The effects of operational and design parameters on the tolerance of ADSR fuel pin cladding to beam interruptions

This paper investigates the effects of design parameters, such as cladding and coolant material choices, and operational phenomena, such as creep and fission product decay heat, on the tolerance of Accelerator Driven Subcritical Reactor (ADSR) fuel pin cladding to beam interruptions. This work aims to provide a greater understanding of the integration between accelerator and nuclear reactor technologies in ADSRs. The results show that an upper limit on cladding operating temperature of 550 °C is appropriate, as higher values of temperature tend to accelerate creep, leading to cladding failure much sooner than anticipated. The effect of fission product decay heat is to reduce significantly the maximum stress developed in the cladding during a beam-trip-induced transient. The potential impact of irradiation damage and the effects of the liquid metal coolant environment on the cladding are discussed. © 2013 Elsevier Ltd. All rights reserved.

A method for VVER-1000 fuel rearrangement optimization taking into account both fuel cladding durability and burnup

A method for VVER-1000 fuel rearrangement optimization that takes into account both cladding durability and fuel burnup and which is suitable for any regime of normal reactor operation has been established. The main stages involved in solving the problem of fuel rearrangement optimization are discussed in detail. Using the proposed fuel rearrangement efficiency criterion, a simple example VVER-1000 fuel rearrangement optimization problem is solved under deterministic and uncertain conditions. It is shown that the deterministic and robust (in the face of uncertainty) solutions of the rearrangement optimization problem are similar in principle, but the robust solution is, as might be anticipated, more conservative. © 2013 Elsevier B.V.

A preliminary study of target multiplicity for ADSRs

The Accelerator Driven Subcritical Reactor (ADSR) concept is based on the coupling of a particle accelerator to a subcritical reactor core by means of a neutron spallation target interface. This paper investigates the benefits of multiple spallation targets in ADSRs. The motivation behind this is, firstly, to improve the overall reliability of the accelerator-reactor system, and, secondly, to evaluate other potential advantages such as lower beam power requirements. The results show that a system containing two or three spallation targets, coupled to independent accelerators, offers better neutronic performance. This is demonstrated through the increased effective multiplication factor (keff) in the two- and three-target configurations and a more uniform neutron flux distribution. A multiple-target ADSR also proves effective in mitigating the impact of frequent beam interruptions, a pressing issue that needs to be addressed for the ADSR concept to advance. Assuming no simultaneous beam shutdowns, the two- and three-target configurations reduce the risk of fuel cladding failure due to thermal cyclic fatigue. © 2013 Elsevier B.V. All rights reserved.

Complex chemistry DNS of n-heptane spray autoignition at high pressure and intermediate temperature conditions

Direct Numerical Simulations (DNS) of turbulent n-heptane sprays autoigniting at high pressure (P=24bar) and intermediate air temperature (Tair=1000K) have been performed to investigate the physical mechanisms present under conditions where low-temperature chemistry is expected to be important. The initial turbulence in the carrier gas, the global equivalence ratio in the spray region, and the initial droplet size distribution of the spray were varied. Results show that spray ignition exhibits a spotty nature, with several kernels developing independently in those regions where the mixture fraction is close to its most reactive value ξMR (as determined from homogeneous reactor calculations) and the scalar dissipation rate is low. Turbulence reduces the ignition delay time as it promotes mixing between air and the fuel vapor, eventually resulting in lower values of scalar dissipation. High values of the global equivalence ratio are responsible for a larger number of ignition kernels, due to the higher probability of finding regions where ξ=ξMR. Spray polydispersity results in the occurrence of ignition over a wider range of mixture fraction values. This is a consequence of the inhomogeneities in the mixing field that characterize these sprays, where poorly mixed rich spots are seen to alternate with leaner ones which are well-mixed. The DNS simulations presented in this work have also been used to assess the applicability of the Conditional Moment Closure (CMC) method to the simulation of spray combustion. CMC is found to be a valid method for capturing spray autoignition, although care should be taken in the modelling of the unclosed terms appearing in the CMC equations. © 2013 The Combustion Institute.

A fast detailed-chemistry modelling approach for simulating the SI-HCCI transition

An established Stochastic Reactor Model (SRM) is used to simulate the transition from Spark Ignition (SI) to Homogeneous Charge Compression Ignition (HCCI) combustion mode in a four cylinder in-line four-stroke naturally aspirated direct injection SI engine with cam profile switching. The SRM is coupled with GT-Power, a one-dimensional engine simulation tool used for modelling engine breathing during the open valve portion of the engine cycle, enabling multi-cycle simulations. The mode change is achieved by switching the cam profiles and phasing, resulting in a Negative Valve Overlap (NVO), opening the throttle, advancing the spark timing and reducing the fuel mass as well as using a pilot injection. A proven technique for tabulating the model is used to create look-up tables in both SI and HCCI modes. In HCCI mode several tables are required, including tables for the first NVO, transient valve timing NVO, transient valve timing HCCI and steady valve timing HCCI and NVO. This results in the ability to simulate the transition with detailed chemistry in very short computation times. The tables are then used to optimise the transition with the goal of reducing NO x emissions and fluctuations in IMEP. Copyright © 2010 SAE International.