Statistics and modelling of turbulent kinetic energy transport in different regimes of premixed combustion

The statistical behaviour of turbulent kinetic energy transport in turbulent premixed flames is analysed using data from three-dimensional Direct Numerical Simulation (DNS) of freely propagating turbulent premixed flames under decaying turbulence. For flames within the corrugated flamelets regime, it is observed that turbulent kinetic energy is generated within the flame brush. By contrast, for flames within the thin reaction zones regime it has been found that the turbulent kinetic energy decays monotonically through the flame brush. Similar trends are observed also for the dissipation rate of turbulent kinetic energy. Within the corrugated flamelets regime, it is demonstrated that the effects of the mean pressure gradient and pressure dilatation within the flame are sufficient to overcome the effects of viscous dissipation and are responsible for the observed augmentation of turbulent kinetic energy in the flame brush. In the thin reaction zones regime, the effects of the mean pressure gradient and pressure dilatation terms are relatively much weaker than those of viscous dissipation, resulting in a monotonic decay of turbulent kinetic energy across the flame brush. The modelling of the various unclosed terms of the turbulent kinetic energy transport equation has been analysed in detail. The predictions of existing models are compared with corresponding quantities extracted from DNS data. Based on this a-priori DNS assessment, either appropriate models are identified or new models are proposed where necessary. It is shown that the turbulent flux of turbulent kinetic energy exhibits counter-gradient (gradient) transport wherever the turbulent scalar flux is counter-gradient (gradient) in nature. A new model has been proposed for the turbulent flux of turbulent kinetic energy, and is found to capture the qualitative and quantitative behaviour obtained from DNS data for both the corrugated flamelets and thin reaction zones regimes without the need to adjust any of the model constants. © 2010 Springer Science+Business Media B.V.

Kinetic control of catalytic CVD for high-quality graphene at low temperatures.

Low-temperature (∼600 °C), scalable chemical vapor deposition of high-quality, uniform monolayer graphene is demonstrated with a mapped Raman 2D/G ratio of >3.2, D/G ratio ≤0.08, and carrier mobilities of ≥3000 cm(2) V(-1) s(-1) on SiO(2) support. A kinetic growth model for graphene CVD based on flux balances is established, which is well supported by a systematic study of Ni-based polycrystalline catalysts. A finite carbon solubility of the catalyst is thereby a key advantage, as it allows the catalyst bulk to act as a mediating carbon sink while optimized graphene growth occurs by only locally saturating the catalyst surface with carbon. This also enables a route to the controlled formation of Bernal stacked bi- and few-layered graphene. The model is relevant to all catalyst materials and can readily serve as a general process rationale for optimized graphene CVD.

The use of Th in HTR: State of the art and implementation in Th/Pu fuel cycles

Nowadays nuclear is the only greenhouse-free source that can appreciably respond to the increasing worldwide energy demand. The use of Thorium in the nuclear energy production may offer some advantages to accomplish this task. Extensive R&D on the thorium fuel cycle has been conducted in many countries around the world. Starting from the current nuclear waste policy, the EU-PUMA project focuses on the potential benefits of using the HTR core as a Pu/MA transmuter. In this paper the following aspects have been analysed: (1) the state-of-the-art of the studies on the use of Th in different reactors, (2) the use of Th in HTRs, with a particular emphasis on Th-Pu fuel cycles, (3) an original assessment of Th-Pu fuel cycles in HTR. Some aspects related to Thorium exploitation were outlined, particularly its suitability for working in pebble-bed HTR in a Th-Pu fuel cycle. The influence of the Th/Pu weight fraction at BOC in a typical HTR pebble was analysed as far as the reactivity trend versus burn-up, the energy produced per Pu mass, and the Pu isotopic composition at EOC are concerned. Although deeper investigations need to be performed in order to draw final conclusions, it is possible to state that some optimized Th percentage in the initial Pu/Th fuel could be suggested on the basis of the aim we are trying to reach. Copyright © 2009 Guido Mazzini et al.

Kinetic study of the 2-methyl-3-methoxy-4-phenylbutanoic acid produced by oxidation of microcystin in aqueous solutions

Microcystins (MCs) are a family of related cyclic hepatotoxic heptapeptides, of which more than 70 types have been identified. The chemically unique nature of the C20 beta-amino acid, (2S, 3S, 8S, 9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca4,6-dienoic acid (Adda), portion of the MCs has been exploited to develop a strategy to analyze the entirety. Oxidation of MCs causes the cleavage of MC Adda to form 2-methyl-3-methoxy-4-phenylbutanoic acid (MMPB). In the present study, we investigated the kinetics of MMPB produced by oxidation of the most-often-studied MC variant, MC-LR (L = leucine, R = arginine), with permanganate-periodate. This investigation allowed insight regarding the influence of the reaction conditions (concentration of the reactants, temperature, and pH) on the conversion rate. The results indicated that the reaction was second order overall and first order with respect to both permanganate and MC-LR. The second-order rate constant ranged from 0.66 to 1.35 M/s at temperatures from 10 to 30 degrees C, and the activation energy was 24.44 kJ/mol. The rates of MMPB production can be accelerated through increasing reaction temperature and oxidant concentration, and sufficient periodate is necessary for the formation of MMPB. The initial reaction rate under alkaline and neutral conditions is higher than that under acidic conditions, but the former decreases faster than the latter except under weakly acidic conditions. These results provided new insight concerning selection of the permanganate-periodate concentration, pH, and temperature needed for the oxidation of MCs with a high and stable yield of MMPB.

Kinetic modelling of growth and storage molecule production in microalgae under mixotrophic and autotrophic conditions.

In order to improve algal biofuel production on a commercial-scale, an understanding of algal growth and fuel molecule accumulation is essential. A mathematical model is presented that describes biomass growth and storage molecule (TAG lipid and starch) accumulation in the freshwater microalga Chlorella vulgaris, under mixotrophic and autotrophic conditions. Biomass growth was formulated based on the Droop model, while the storage molecule production was calculated based on the carbon balance within the algal cells incorporating carbon fixation via photosynthesis, organic carbon uptake and functional biomass growth. The model was validated with experimental growth data of C. vulgaris and was found to fit the data well. Sensitivity analysis showed that the model performance was highly sensitive to variations in parameters associated with nutrient factors, photosynthesis and light intensity. The maximum productivity and biomass concentration were achieved under mixotrophic nitrogen sufficient conditions, while the maximum storage content was obtained under mixotrophic nitrogen deficient conditions.