Reduced kinetic mechanisms for modelling LPP combustión in gas turbines

Reduced kinetic mechanisms for modelling LPP combustión in gas turbine

The reduced kinetic description of lean premixed combustion

Lean premixed methane-air flames are investigated in an effort to facilitate the numerical description of CO and NO emissions in LP (lean premixed) and LPP (lean premixed prevaporized) combustion systems. As an initial step, the detailed mechanism describing the fuel oxidation process is reduced to a four-step description that employs CO, H2, and OH as intermediates not following a steady-state approximation. It is seen that, under conditions typical of gas-turbine combustion, this mechanism can be further simplified to give a two-step reduced description, in which fuel is consumed and CO is produced according to the fast overall step CH4 + 3/2 O2 CO + 2H2O, while CO is slowly oxidized according to the overall step CO + 1/2 O2 CO2. Because of its associated fast rate, fuel consumption takes place in a thin layer where CO, H2, and OH are all out of steady state, while CO oxidation occurs downstream in a distributed manner in a region where CO is the only intermediate not in steady state. In the proposed description, the rate of fuel consumption is assigned a heuristic Arrhenius dependence that adequately reproduces laminar burning velocities, whereas the rate of CO oxidation is extracted from the reduced chemistry analysis. Comparisons with results obtained with detailed chemistry indicate that the proposed kinetic description not only reproduces well the structure of one-dimensional unstrained and strained flames, including profiles of CO, temperature, and radicals, but can also be used to calculate NO emissions by appending an appropriate one-step reduced chemistry description that includes both the thermal and the N2O production paths. Although methane is employed in the present study as a model fuel, the universal structure of the resulting CO oxidation region, independent of the fuel considered, enables the proposed formulation to be readily extended to other hydrocarbons

Social Network Reciprocity as a Phase Transition in Evolutionary Cooperation

In Evolutionary Dynamics the understanding of cooperative phenomena in natural and social systems has been the subject of intense research during decades. We focus attention here on the so-called "Lattice Reciprocity" mechanisms that enhance evolutionary survival of the cooperative phenotype in the Prisoner's Dilemma game when the population of darwinian replicators interact through a fixed network of social contacts. Exact results on a "Dipole Model" are presented, along with a mean-field analysis as well as results from extensive numerical Monte Carlo simulations. The theoretical framework used is that of standard Statistical Mechanics of macroscopic systems, but with no energy considerations. We illustrate the power of this perspective on social modeling, by consistently interpreting the onset of lattice reciprocity as a thermodynamical phase transition that, moreover, cannot be captured by a purely mean-field approach.Comment: 10 pages. APS styl

Impact of targeted attack on the spontaneous activity in spatial and biologically-inspired neuronal networks

We study the structural and dynamical consequences of damage in spatial neuronal networks. Inspired by real in vitro networks, we construct directed networks embedded in a two-dimensional space and follow biological rules for designing the wiring of the system. As a result, synthetic cultures display strong metric correlations similar to those observed in real experiments. In its turn, neuronal dynamics is incorporated through the Izhikevich model adopting the parameters derived from observation in real cultures. We consider two scenarios for damage, targeted attacks on those neurons with the highest out-degree and random failures. By analyzing the evolution of both the giant connected component and the dynamical patterns of the neurons as nodes are removed, we observe that network activity halts for a removal of 50% of the nodes in targeted attacks, much lower than the 70% node removal required in the case of random failures. Notably, the decrease of neuronal activity is not gradual. Both damage scenarios portray "boosts" of activity just before full silencing that are not present in equivalent random (Erdös-Rényi) graphs. These boosts correspond to small, spatially compact subnetworks that are able to maintain high levels of activity. Since these subnetworks are absent in the equivalent random graphs, we hypothesize that metric correlations facilitate the existence of local circuits sufficiently integrated to maintain activity, shaping an intrinsic mechanism for resilience

Sex-Specific Effects of Early Life Stress on Brain Mitochondrial Function, Monoamine Levels and Neuroinflammation

Sex differences have been reported in the susceptibility to early life stress and its neurobiological correlates in humans and experimental animals. However, most of the current research with animal models of early stress has been performed mainly in males. In the present study, prolonged maternal separation (MS) paradigm was applied as an animal model to resemble the effects of adverse early experiences in male and female rats. Regional brain mitochondrial function, monoaminergic activity, and neuroinflammation were evaluated as adults. Mitochondrial energy metabolism was greatly decreased in MS females as compared with MS males in the prefrontal cortex, dorsal hippocampus, and the nucleus accumbens shell. In addition, MS males had lower serotonin levels and increased serotonin turnover in the prefrontal cortex and the hippocampus. However, MS females showed increased dopamine turnover in the prefrontal cortex and increased norepinephrine turnover in the striatum, but decreased dopamine turnover in the hippocampus. Sex differences were also found for pro-inflammatory cytokine levels, with increased levels of TNF-α and IL-6 in the prefrontal cortex and hippocampus of MS males, and increased IL-6 levels in the striatum of MS females. These results evidence the complex sex- and brain region-specific long-term consequences of early life stress.This work was supported by grants PSI 2017-83038-P to HGP and NC, PSI 2017-90806-REDT to JLA, PSI 2017-83893-R to JLA (Ministry of Economy and Competitiveness, Spain)

One-Pot Cu/TiO2 Nanoparticles Synthesis for Trans-Ferulic Acid Conversion into Vanillin

In this study, the co-synthesis of TiO2 and Cu metallic nanoparticles obtained via one-pot cost-efficient hydrothermal process has been addressed. Different nanocatalysts with Cu contents were characterized by X-ray diffraction, nitrogen porosimetry, scanning electron microscopy, and transmission electron microscopy. The TiO2 and Cu metallic nanoparticles were synthesized with copper loading up to one (Cu/Ti atomic ratio). Synthesized catalysts exhibited pore sizes in the mesoporous range and high surface areas above 150 m2/g. The particle size for TiO2 presented a homogeneous distribution of approximately 8 nm, moreover, Cu nanoparticles varied from 12 to >100 nm depending on the metal loading. The nanostructured materials were successfully tested in the conversion of trans-ferulic acid into vanillin under sustainable conditions, achieving the best performance for 0.3 Cu/Ti atomic ratio (70% vanillin yield)

Agromorphological genetic diversity of Spanish traditional melons

[EN] The variability of 62 Spanish landraces (and two hybrids used as reference) was described by analysing 39 morphological traits and eight SSR makers. Results showed that 81% of the examined genetic pool belonged to the inodorus type. Spanish traditional melons presented fruits from flattened and globular shapes to elliptical. Rind colour varied from pale green, almost white and yellow to dark green and almost black. Rind texture varied from smooth to intensely wrinkled. Spanish landraces also had larger fruits (average fruit weight 2.6 kg) and longer vegetative cycles (117 days to maturity) compared to landraces from other geographical origins. Farmers seem to have focused on selection towards large fruits, which usually requires the longest production cycles. Fruit colour, size and shape seemed to have been determinant in varietal selection. Hierarchical clustering resulted in two main groups (climacteric and non-climacteric). The largest group was composed of 60 accessions of non-climacteric types, which includes the most demanded by national markets, 'Piel de Sapo', which fruits were characterized by an ovate or elliptical shape, a green rind, big spots and stains distributed over the whole fruit, a rounded blossom end shape and a very pointed stem end shape. The study demonstrates that the Spanish genetic pool is much more diverse. Wide variability was found in a geographical area with vast historical importance in melon farming. These evaluations has allowed the identification of several uniform groups of non-climacteric cultivars ('Piel de Sapo', 'Mochuelo', 'Tendral', Yellow/White, Winter and Black groups) and a set of highly variable climacteric ones. However, many accessions with singular properties remain unclassified, demonstrating the morphological variability of the studied collection. Melons in Spain have wide variability together with a vast historical importance on farms. Some fruit types, or at least some morphological characters reflected by painters during centuries, have reached the present. The present study confirmed the need to preserve these irreplaceable genetic resources and continue their study and evaluation for valuable traits which could enhance farmer's opportunities for entering new markets.The authors would like to thank Maria Jose Diez, the curator of the COMAV's Genebank for providing some of the melon varieties included in this study. Financial support was received from the Genome-Spain Foundation through the Project MELONOMICS (http://www.gen-es.org/es/melanomics.cfm). This study was partially supported by the Project AGL2014-53398-C2-R (funded by the Spanish Economy and Competitiveness Department, and the European Regional Development Fund).Lázaro, A.; Fernandez, I.; Borrero, M.; Cabello, F.; Lopez-Sese, A.; Gómez-Guillamon, M.; Picó Sirvent, MB. (2017). Agromorphological genetic diversity of Spanish traditional melons. 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Thermal decomposition of the acetone cyclic diperoxide in 1-octanol solution

The thermal decomposition reaction of acetone cyclic diperoxide (ACDP) in 1-octanol (OCT) solution, at the temperatures and initial concentration ranges of 130° -166 ºC and (0.94-3.00) x 10-2 mol/L , respectively, follows a pseudo-first order kinetic law. Acetone is the main organic decomposition product observed. The activation parameters values of the initial reaction step (ΔH# = 25.8 ± 0.3 kcal/mol; ΔS# = -19.1 ± 0.6 cal/mol K; Ea = 26.6 ± 0.3 kcal/mol), support a reaction mechanism which includes a homolytic rupture of one peroxidic bond of the ACDP molecule with participation of the solvent and involving a biradical intermediate.La reacción de descomposición térmica del diperóxido de acetona cíclico (ACDP) en solución de 1-octanol (OCT), en los rangos de temperatura y concentraciones iniciales de 130° -166 ºC y (0.94-3.00) x 10-2 mol/L respectivamente, sigue una ley cinética de seudo primer orden. La acetona es el principal producto de descomposición observado. Loa valores de activación de la etapa inicial (ΔH# = 25.8 ± 0.3 kcal/mol; ΔS# = -19.1 ± 0.6 cal/mol K; Ea = 26.6 ± 0.3 kcal/mol) apoyan un mecanismo de reacción que incluye una ruptura homolítica de un enlace peroxídico en la molécula del ACDP con participación del solvente y que involucra un birradical intermediario.Laboratorio de Estudio de Compuestos OrgánicosInstituto de Investigaciones Fisicoquímicas Teóricas y Aplicada