scholarly journals Simulation of Wood Combustion in PATO Using a Detailed Pyrolysis Model Coupled to fireFoam

2021 ◽  
Vol 11 (22) ◽  
pp. 10570
Author(s):  
Hermes Scandelli ◽  
Azita Ahmadi-Senichault ◽  
Jean Lachaud ◽  
Franck Richard
Keyword(s):  
Three Dimensional ◽  
Chemical Species ◽  
Pyrolysis Process ◽  
Wood Combustion ◽  
Gaseous Species ◽  
Fire Propagation ◽  
Wood Pyrolysis ◽  
Pyrolysis Model ◽  
And Behavior ◽  
Pyrolysis Gases

The numerical simulation of fire propagation requires capturing the coupling between wood pyrolysis, which leads to the production of various gaseous species, and the combustion of these species in the flame, which produces the energy that sustains the pyrolysis process. Experimental and numerical works of the fire community are targeted towards improving the description of the pyrolysis process to better predict the rate of production and the chemical nature of the pyrolysis gases. We know that wood pyrolysis leads to the production of a large variety of chemical species: water, methane, propane, carbon monoxide and dioxide, phenol, cresol, hydrogen, etc. With the idea of being able to capitalize on such developments to study more accurately the physics of fire propagation, we have developed a numerical framework that couples a detailed three-dimensional pyrolysis model and fireFoam. In this article, we illustrate the capability of the simulation tool by treating the combustion of a wood log. Wood is considered to be composed of three phases (cellulose, hemicellulose and lignin), each undergoing parallel degradation processes leading to the production of methane and hydrogen. We chose to simplify the gas mixture for this first proof of concept of the coupling of a multi-species pyrolysis process and a flame. In the flame, we consider two separate finite-rate combustion reactions for methane and hydrogen. The flame evolves during the simulation according to the concentration of the two gaseous species produced from the material. It appears that introducing different pyrolysis species impacts the temperature and behavior of the flame.

Flammability of Engineered Wood Pyrolysis Gases at Anaerobic Condition

2021 ◽  
pp. 103424
Author(s):  
Sahand Rasoulipour ◽  
Charles Fleischmann ◽  
Luke Merciec ◽  
Nicole Adams
Keyword(s):  
Anaerobic Condition ◽  
Wood Pyrolysis ◽  
Engineered Wood ◽  
Pyrolysis Gases

Analysis of SiC CVD Growth in a Horizontal Hot-Wall Reactor by Experiment and 3D Modelling

2007 ◽  
Vol 556-557 ◽  
pp. 61-64
Author(s):  
Y. Shishkin ◽  
Rachael L. Myers-Ward ◽  
Stephen E. Saddow ◽  
Alexander Galyukov ◽  
A.N. Vorob'ev ◽  
...  
Keyword(s):  
Growth Rate ◽  
Growth Process ◽  
Three Dimensional ◽  
Chemical Species ◽  
3D Modelling ◽  
Complete Model ◽  
Cvd Growth ◽  
Dimensional Simulation ◽  
Insight Into ◽  
Hot Zone

A fully-comprehensive three-dimensional simulation of a CVD epitaxial growth process has been undertaken and is reported here. Based on a previously developed simulation platform, which connects fluid dynamics and thermal temperature profiling with chemical species kinetics, a complete model of the reaction process in a low pressure hot-wall CVD reactor has been developed. Close agreement between the growth rate observed experimentally and simulated theoretically has been achieved. Such an approach should provide the researcher with sufficient insight into the expected growth rate in the reactor as well as any variations in growth across the hot zone.

Fabrication of three-dimensional SiC-based ceramic micropatterns using a sequential micromolding-and-pyrolysis process

2006 ◽  
Vol 83 (11-12) ◽  
pp. 2475-2481 ◽  
Author(s):  
Tae Woo Lim ◽  
Sang Hu Park ◽  
Dong-Yol Yang ◽  
Tuan Anh Pham ◽  
Dong Hoon Lee ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Pyrolysis Process

scholarly journals Convolutional neural network-assisted recognition of nanoscale L12 ordered structures in face-centred cubic alloys

2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Yue Li ◽  
Xuyang Zhou ◽  
Timoteo Colnaghi ◽  
Ye Wei ◽  
Andreas Marek ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Chemical Species ◽  
Atom Probe ◽  
Local Order ◽  
Face Centered Cubic ◽  
Ordered Structure ◽  
Ordered Structures ◽  
Distribution Maps ◽  
Structure Recognition ◽  
Fcc Alloys

AbstractNanoscale L12-type ordered structures are widely used in face-centered cubic (FCC) alloys to exploit their hardening capacity and thereby improve mechanical properties. These fine-scale particles are typically fully coherent with matrix with the same atomic configuration disregarding chemical species, which makes them challenging to be characterized. Spatial distribution maps (SDMs) are used to probe local order by interrogating the three-dimensional (3D) distribution of atoms within reconstructed atom probe tomography (APT) data. However, it is almost impossible to manually analyze the complete point cloud (>10 million) in search for the partial crystallographic information retained within the data. Here, we proposed an intelligent L12-ordered structure recognition method based on convolutional neural networks (CNNs). The SDMs of a simulated L12-ordered structure and the FCC matrix were firstly generated. These simulated images combined with a small amount of experimental data were used to train a CNN-based L12-ordered structure recognition model. Finally, the approach was successfully applied to reveal the 3D distribution of L12–type δ′–Al3(LiMg) nanoparticles with an average radius of 2.54 nm in a FCC Al-Li-Mg system. The minimum radius of detectable nanodomain is even down to 5 Å. The proposed CNN-APT method is promising to be extended to recognize other nanoscale ordered structures and even more-challenging short-range ordered phenomena in the near future.

3D simulations of warm and hot Jupiter atmospheres: the role of 3D mixing in shaping CH4-to-CO conversion pathways

2021 ◽  
Author(s):  
Maria Zamyatina ◽  
Eric Hebrard ◽  
Nathan Mayne ◽  
Benjamin Drummond
Keyword(s):  
Chemical Structure ◽  
Three Dimensional ◽  
Chemical Species ◽  
Radiation Chemistry ◽  
3D Simulations ◽  
Horizontal Advection ◽  
Co Conversion ◽  
Area Of Influence ◽  
Different Parts

<p>We present results from a set of cloud-free simulations of exoplanet atmospheres using a coupled three-dimensional (3D) hydrodynamics-radiation-chemistry model. We report in particular our investigation of the thermodynamic and chemical structure of the atmospheres of HAT-P-11b and WASP-17b and their comparison with the results for the atmospheres of HD 189733b and HD 209458b presented in Drummond et al. (2020). We found that the abundances of chemical species from simulations with interactive chemistry depart from their respective abundances computed at local chemical equilibrium, especially at higher latitudes. To understand this departure, we analysed the CH<sub>4</sub>-to-CO conversion pathways within the Venot et al. (2019) reduced chemical network used in our model using a chemical network analysis. We found that at steady state nine CH<sub>4</sub>-to-CO conversion pathways manifest in our 3D simulations with interactive chemistry, with different pathways dominating different parts of the atmosphere and their area of influence being determined by the vertical and horizontal advection and shifting between planets.</p>

scholarly journals A mass-conserving and multi-tracer efficient transport scheme in the online integrated Enviro-HIRLAM model

2013 ◽  
Vol 6 (4) ◽  
pp. 1029-1042 ◽  
Author(s):  
B. Sørensen ◽  
E. Kaas ◽  
U. S. Korsholm
Keyword(s):  
Prediction Model ◽  
Weather Prediction ◽  
Three Dimensional ◽  
Chemical Species ◽  
Numerical Weather Prediction Model ◽  
Computationally Efficient ◽  
Long Time ◽  
Dimensional Version ◽  
The Stability ◽  
Lagrangian Scheme

Abstract. In this paper a new advection scheme for the online coupled chemical–weather prediction model Enviro-HIRLAM is presented. The new scheme is based on the locally mass-conserving semi-Lagrangian method (LMCSL), where the original two-dimensional scheme has been extended to a fully three-dimensional version. This means that the three-dimensional semi-implicit semi-Lagrangian scheme which is currently used in Enviro-HIRLAM is largely unchanged. The HIRLAM model is a computationally efficient hydrostatic operational short-term numerical weather prediction model, which is used as the base for the online integrated Enviro-HIRLAM. The new scheme is shown to be efficient, mass conserving, and shape preserving, while only requiring minor alterations to the original code. It still retains the stability at long time steps, which the semi-Lagrangian schemes are known for, while handling the emissions of chemical species accurately. Several mass-conserving filters have been tested to assess the optimal balance of accuracy vs. efficiency.

scholarly journals A three-dimensional bioprinted model to evaluate the effect of stiffness on neuroblastoma cell cluster dynamics and behavior

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
Ezequiel Monferrer ◽  
Susana Martín-Vañó ◽  
Aitor Carretero ◽  
Andrea García-Lizarribar ◽  
Rebeca Burgos-Panadero ◽  
...  
Keyword(s):  
Neuroblastoma Cell ◽  
Three Dimensional ◽  
Cell Cluster ◽  
And Behavior

scholarly journals Multiple Functional Solutions During Flightless to Flight-Capable Transitions

2021 ◽  
Vol 8 ◽  
Author(s):  
Ashley M. Heers ◽  
Stephanie L. Varghese ◽  
Leila K. Hatier ◽  
Jeremiah J. Cabrera
Keyword(s):  
Empirical Studies ◽  
Three Dimensional ◽  
Muscle Size ◽  
Whole Body ◽  
Ontogenetic Changes ◽  
Skeletal Morphology ◽  
Avian Flight ◽  
And Performance ◽  
Locomotor Behaviors ◽  
And Behavior

The evolution of avian flight is one of the great transformations in vertebrate history, marked by striking anatomical changes that presumably help meet the demands of aerial locomotion. These changes did not occur simultaneously, and are challenging to decipher. Although extinct theropods are most often compared to adult birds, studies show that developing birds can uniquely address certain challenges and provide powerful insights into the evolution of avian flight: unlike adults, immature birds have rudimentary, somewhat “dinosaur-like” flight apparatuses and can reveal relationships between form, function, performance, and behavior during flightless to flight-capable transitions. Here, we focus on the musculoskeletal apparatus and use CT scans coupled with a three-dimensional musculoskeletal modeling approach to analyze how ontogenetic changes in skeletal anatomy influence muscle size, leverage, orientation, and corresponding function during the development of flight in a precocial ground bird (Alectoris chukar). Our results demonstrate that immature and adult birds use different functional solutions to execute similar locomotor behaviors: in spite of dramatic changes in skeletal morphology, muscle paths and subsequent functions are largely maintained through ontogeny, because shifts in one bone are offset by changes in others. These findings help provide a viable mechanism for how extinct winged theropods with rudimentary pectoral skeletons might have achieved bird-like behaviors before acquiring fully bird-like anatomies. These findings also emphasize the importance of a holistic, whole-body perspective, and the need for extant validation of extinct behaviors and performance. As empirical studies on locomotor ontogeny accumulate, it is becoming apparent that traditional, isolated interpretations of skeletal anatomy mask the reality that integrated whole systems function in frequently unexpected yet effective ways. Collaborative and integrative efforts that address this challenge will surely strengthen our exploration of life and its evolutionary history.

scholarly journals Mining the Information for Structure Based Drug Designing by Relational Database Management Notion

2009 ◽  
Vol 6 (4) ◽  
pp. 1047-1054
Author(s):  
R. Balajee ◽  
M. S. Dhanarajan
Keyword(s):  
Drug Discovery ◽  
Drug Targets ◽  
Three Dimensional ◽  
Chemical Properties ◽  
Structure Based Drug Design ◽  
Molecular Systems ◽  
Drug Discovery Program ◽  
And Behavior

Structure based drug design is a technique that is used in the initial stages of a drug discovery program. The role of various computational methods in the characterization of the chemical properties and behavior of molecular systems is discussed. The field of bioinformatics has become a major part of the drug discovery pipeline playing a key role for validating drug targets. By integrating data from many inter-related yet heterogeneous resources, informatics can help in our understanding of complex biological processes and help improve drug discovery. The determination of the three dimensional properties of small molecules and macromolecular receptor structures is a core activity in the efforts towards a better understanding of structure-activity relationships.

Three-Dimensional Computation of Gas Turbine Combustors and the Validation Studies of Turbulence and Combustion Models

1997 ◽  
Author(s):  
D. Biswas ◽  
K. Kawano ◽  
H. Iwasaki ◽  
M. Ishizuka ◽  
S. Yamanaka
Keyword(s):  
Gas Turbine ◽  
Validation Studies ◽  
Three Dimensional ◽  
Chemical Species ◽  
Reaction Rates ◽  
Reacting Flows ◽  
Gas Turbine Combustor ◽  
Combustion Models ◽  
Rate Of Dissipation

The main aim or the present work is to explore computational fluid dynamics and related turbulence and combustion models for application to the design, understanding and development of gas turbine combustor. Validation studies were conducted using the Semi-Implicit Method for Pressure Linked Equations (SIMPLE) scheme to solve the relevant steady, elliptical partial differential equations of the conservation of mass, momentum, energy and chemical species in three-dimensional cylindrical co-ordinate system to simulate the gas turbine combustion chamber configurations. A modified version of k-ε turbulence model was used for characterization of local turbulence in gas turbine combustor. Since, in the present study both diffusion and pre-mixed combustion were considered, in addition to familiar bi-molecular Arhenius relation, influence of turbulence on reaction rates was accounted for based on the eddy break up concept of Spalding and was assumed that the local reaction rate was proportional to the rate of dissipation of turbulent eddies. Firstly, the validity of the present approach with the turbulence and reaction models considered is checked by comparing the computed results with the standard experimental data on recirculation zone, mean axial velocity and temperature profiles, etc. for confined, reacting and non-reacting flows with reasonably well defined boundary conditions. Finally, the results of computation for practical gas turbine combustor using combined diffusion and pre-mixed combustion for different combustion conditions are discussed.

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