Modelling of spray flames with Doubly Conditional Moment Closure

Simulations of a pilot-stabilised flame in a uniformly dispersed ethanol spray are performed using a Doubly Conditional Moment Closure (DCMC) model. The DCMC equation for spray combustion is derived, using the mixture fraction and the reaction progress variable as conditioning variables, including droplet evaporation and differential diffusion terms. A set of closure sub-models is suggested to allow for a first, preliminary application of the DCMC model to the test case presented here. In particular, the DCMC model is used to provide complete closure for the Favre-averaged spray terms in the mean and variance equations of the conditioning variables and the present test case is used to assess the importance of each term. Comparison with experimental data shows a promising overall agreement, while differences are related to modelling choices.M.P. Sitte gratefully acknowledges funding from the Gates Cambridge Trust. The simulations were performed using the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk) with computational time given by the UK Consortium on Turbulent Reacting Flows

Large Eddy Simulation of a spray jet flame using Doubly Conditional Moment Closure

A spray jet flame is modelled using Large Eddy Simulation (LES) with Doubly Conditional Moment Closure (DCMC). Since turbulent spray flames may include multiple combustion modes, the DCMC model uses both mixture fraction and reaction progress variable as conditioning variables. Conditional spray terms were included in the DCMC model to consider the coupling between evaporation and the flame structure. In the case of spatial homogeneity and in the limit of negligible mixture fraction scalar dissipation rate (SDR), the DCMC equation is shown to reproduce the flame structure of freely propagating laminar flames. For the spray jet flame, a good agreement between the simulation results and the experiments is achieved, in terms of the spray statistics, as well as the instantaneous and mean flame shape. The simulation shows important differences in the flame structure between the turbulent inner and the quasilaminar outer flame branch. The doubly-conditional parametrisation appears to be advantageous for resolving small scale effects related to droplet evaporation. Analysis of the DCMC equation suggests that the behaviour of the flame at its anchoring point is strongly influenced by non-premixed burning modes. The solution appears to be weakly affected by terms of convective transport in the DCMC equation, but significant spatial variations and temporal fluctuations of the conditional reaction rate, around 10 % of the time-based mean, persist.EPSRC, Project number: EP/R029369/

Polydispersity Effects in Low-order Ignition Modeling of Jet Fuel Sprays

Low-order ignition models are important tools in the design of aviation gas turbines. In this paper, a stochastic model that predicts the ignition probability in a combustor based on a timeaveraged cold- ow solution is extended to include local fuel concentration uctuations due to the polydisperse nature of the spray. For this, a stochastic approach to modelling such uctuations is considered, and the e ects of the ow and mixture parameters on the resulting equivalence ratio pdfs are investigated. The concentration of fuel in large droplets results in a high variation of the local equivalence ratio, hence a ecting the local ammability factor at the model's cell scale. The extinction criterion of the ignition model based on a critical Karlovitz number is calibrated based on ignition probability data from canonical experiments using jet fuel, suggesting critical Karlovitz values of spray ames between 0.2-0.6, which is to be contrasted with values of 1.5 for gaseous fuels.EU Clean Sky 2 project PROTEUS (785349

Numerical investigation of kerosene single droplet ignition at high-altitude relight conditions

In this study, the fundamental problem of the ignition of a kerosene single droplet in a quiescent medium at engine high-altitude relight conditions is investigated using numerical simulations. The main objective is to improve the understanding of ignition phenomena with a focus on the effect of droplet evaporation in determining the growth of the ignition kernel and flame establishment. Results show that when the droplet is fully immersed in a high temperature region, ignition occurs when the scalar dissipation rate associated with evaporation decreases enough to allow the initiation of a flame. The ignition time depends on the droplet diameter and the far field temperature, i.e. the position of the droplet with respect to the spark location. As the fuel is consumed, the flame is found to move closer to the droplet surface until the flame cannot sustain itself any more due to increasing scalar dissipation rates. Furthermore, results show that at very low temperatures typical of high-altitude relight conditions no flammable mixture is available around the droplet. Therefore, the success of an ignition event mainly depends on the energy released by the spark and the rate at which this energy is diffused toward the droplet surface to enhance the evaporation rate and create a flammable mixture. The findings are analysed from the perspective of gas turbine applications

A-Priori Validation of Scalar Dissipation Rate Models for Turbulent Non-Premixed Flames

Funder: Engineering and Physical Sciences Research Council; doi: http://dx.doi.org/10.13039/501100000266Funder: University of CambridgeAbstract: The modelling of scalar dissipation rate in conditional methods for large-eddy simulations is investigated based on a priori direct numerical simulation analysis using a dataset representing an igniting non-premixed planar jet flame. The main objective is to provide a comprehensive assessment of models typically used for large-eddy simulations of non-premixed turbulent flames with the Conditional Moment Closure combustion model. The linear relaxation model gives a good estimate of the Favre-filtered scalar dissipation rate throughout the ignition with a value of the related constant close to the one deduced from theoretical arguments. Such value of the constant is one order of magnitude higher than typical values used in Reynolds-averaged approaches. The amplitude mapping closure model provides a satisfactory estimate of the conditionally filtered scalar dissipation rate even in flows characterised by shear driven turbulence and strong density variation

Modelling the Role of the Hsp70/Hsp90 System in the Maintenance of Protein Homeostasis

Neurodegeneration is an age-related disorder which is characterised by the accumulation of aggregated protein and neuronal cell death. There are many different neurodegenerative diseases which are classified according to the specific proteins involved and the regions of the brain which are affected. Despite individual differences, there are common mechanisms at the sub-cellular level leading to loss of protein homeostasis. The two central systems in protein homeostasis are the chaperone system, which promotes correct protein folding, and the cellular proteolytic system, which degrades misfolded or damaged proteins. Since these systems and their interactions are very complex, we use mathematical modelling to aid understanding of the processes involved. The model developed in this study focuses on the role of Hsp70 (IPR00103) and Hsp90 (IPR001404) chaperones in preventing both protein aggregation and cell death. Simulations were performed under three different conditions: no stress; transient stress due to an increase in reactive oxygen species; and high stress due to sustained increases in reactive oxygen species. The model predicts that protein homeostasis can be maintained during short periods of stress. However, under long periods of stress, the chaperone system becomes overwhelmed and the probability of cell death pathways being activated increases. Simulations were also run in which cell death mediated by the JNK (P45983) and p38 (Q16539) pathways was inhibited. The model predicts that inhibiting either or both of these pathways may delay cell death but does not stop the aggregation process and that eventually cells die due to aggregated protein inhibiting proteasomal function. This problem can be overcome if the sequestration of aggregated protein into inclusion bodies is enhanced. This model predicts responses to reactive oxygen species-mediated stress that are consistent with currently available experimental data. The model can be used to assess specific interventions to reduce cell death due to impaired protein homeostasis

Mycobacteria Attenuate Nociceptive Responses by Formyl Peptide Receptor Triggered Opioid Peptide Release from Neutrophils

In inflammation, pain is regulated by a balance of pro- and analgesic mediators. Analgesic mediators include opioid peptides which are secreted by neutrophils at the site of inflammation, leading to activation of opioid receptors on peripheral sensory neurons. In humans, local opioids and opioid peptides significantly downregulate postoperative as well as arthritic pain. In rats, inflammatory pain is induced by intraplantar injection of heat inactivated Mycobacterium butyricum, a component of complete Freund's adjuvant. We hypothesized that mycobacterially derived formyl peptide receptor (FPR) and/or toll like receptor (TLR) agonists could activate neutrophils, leading to opioid peptide release and inhibition of inflammatory pain. In complete Freund's adjuvant-induced inflammation, thermal and mechanical nociceptive thresholds of the paw were quantified (Hargreaves and Randall-Selitto methods, respectively). Withdrawal time to heat was decreased following systemic neutrophil depletion as well as local injection of opioid receptor antagonists or anti-opioid peptide (i.e. Met-enkephalin, β-endorphin) antibodies indicating an increase in pain. In vitro, opioid peptide release from human and rat neutrophils was measured by radioimmunoassay. Met-enkephalin release was triggered by Mycobacterium butyricum and formyl peptides but not by TLR-2 or TLR-4 agonists. Mycobacterium butyricum induced a rise in intracellular calcium as determined by FURA loading and calcium imaging. Opioid peptide release was blocked by intracellular calcium chelation as well as phosphoinositol-3-kinase inhibition. The FPR antagonists Boc-FLFLF and cyclosporine H reduced opioid peptide release in vitro and increased inflammatory pain in vivo while TLR 2/4 did not appear to be involved. In summary, mycobacteria activate FPR on neutrophils, resulting in tonic secretion of opioid peptides from neutrophils and in a decrease in inflammatory pain. Future therapeutic strategies may aim at selective FPR agonists to boost endogenous analgesia

Choline transporter gene variation is associated with attention-deficit hyperactivity disorder

The neurotransmitter acetylcholine (ACh) plays a critical role in brain circuits mediating motor control, attention, learning and memory. Cholinergic dysfunction is associated with multiple brain disorders including Alzheimer’s Disease, addiction, schizophrenia and Attention-Deficit Hyperactivity Disorder (ADHD). The presynaptic choline transporter (CHT, SLC5A7) is the major, rate-limiting determinant of ACh production in the brain and periphery and is consequently upregulated during tasks that require sustained attention. Given the contribution of central cholinergic circuits to the control of movement and attention, we hypothesized that functional CHT gene variants might impact risk for ADHD. We performed a case-control study, followed by family-based association tests on a separate cohort, of two purportedly functional CHT polymorphisms (coding variant Ile89Val (rs1013940) and a genomic SNP 3’ of the CHT gene (rs333229), affording both a replication sample and opportunities to reduce potential population stratification biases. Initial genotyping of pediatric ADHD subjects for two purportedly functional CHT alleles revealed a 2–3 fold elevation of the Val89 allele (n = 100; P = 0.02) relative to healthy controls, as well as a significant decrease of the 3’SNP minor allele in Caucasian male subjects (n = 60; P = 0.004). In family based association tests, we found significant overtransmission of the Val89 variant to children with a Combined subtype diagnosis (OR = 3.16; P = 0.01), with an increased Odds Ratio for a haplotype comprising both minor alleles. These studies show evidence of cholinergic deficits in ADHD, particularly for subjects with the Combined subtype, and, if replicated, may encourage further consideration of cholinergic agonist therapy in the disorder

Rule-Based Cell Systems Model of Aging using Feedback Loop Motifs Mediated by Stress Responses

Investigating the complex systems dynamics of the aging process requires integration of a broad range of cellular processes describing damage and functional decline co-existing with adaptive and protective regulatory mechanisms. We evolve an integrated generic cell network to represent the connectivity of key cellular mechanisms structured into positive and negative feedback loop motifs centrally important for aging. The conceptual network is casted into a fuzzy-logic, hybrid-intelligent framework based on interaction rules assembled from a priori knowledge. Based upon a classical homeostatic representation of cellular energy metabolism, we first demonstrate how positive-feedback loops accelerate damage and decline consistent with a vicious cycle. This model is iteratively extended towards an adaptive response model by incorporating protective negative-feedback loop circuits. Time-lapse simulations of the adaptive response model uncover how transcriptional and translational changes, mediated by stress sensors NF-κB and mTOR, counteract accumulating damage and dysfunction by modulating mitochondrial respiration, metabolic fluxes, biosynthesis, and autophagy, crucial for cellular survival. The model allows consideration of lifespan optimization scenarios with respect to fitness criteria using a sensitivity analysis. Our work establishes a novel extendable and scalable computational approach capable to connect tractable molecular mechanisms with cellular network dynamics underlying the emerging aging phenotype