Related Research Articles
Combustion, or burning, is a high-temperature exothermic redox chemical reaction between a fuel and an oxidant, usually atmospheric oxygen, that produces oxidized, often gaseous products, in a mixture termed as smoke. Combustion does not always result in fire, because a flame is only visible when substances undergoing combustion vaporize, but when it does, a flame is a characteristic indicator of the reaction. While activation energy must be supplied to initiate combustion, the heat from a flame may provide enough energy to make the reaction self-sustaining.
In chemistry and physics, activation energy is the minimum amount of energy that must be provided for compounds to result in a chemical reaction. The activation energy (Ea) of a reaction is measured in joules per mole (J/mol), kilojoules per mole (kJ/mol) or kilocalories per mole (kcal/mol). Activation energy can be thought of as the magnitude of the potential barrier (sometimes called the energy barrier) separating minima of the potential energy surface pertaining to the initial and final thermodynamic state. For a chemical reaction to proceed at a reasonable rate, the temperature of the system should be high enough such that there exists an appreciable number of molecules with translational energy equal to or greater than the activation energy. The term "activation energy" was introduced in 1889 by the Swedish scientist Svante Arrhenius.
A flame is the visible, gaseous part of a fire. It is caused by a highly exothermic chemical reaction taking place in a thin zone. When flames are hot enough to have ionized gaseous components of sufficient density they are then considered plasma.
Computational fluid dynamics (CFD) is a branch of fluid mechanics that uses numerical analysis and data structures to analyze and solve problems that involve fluid flows. Computers are used to perform the calculations required to simulate the free-stream flow of the fluid, and the interaction of the fluid with surfaces defined by boundary conditions. With high-speed supercomputers, better solutions can be achieved, and are often required to solve the largest and most complex problems. Ongoing research yields software that improves the accuracy and speed of complex simulation scenarios such as transonic or turbulent flows. Initial validation of such software is typically performed using experimental apparatus such as wind tunnels. In addition, previously performed analytical or empirical analysis of a particular problem can be used for comparison. A final validation is often performed using full-scale testing, such as flight tests.
Detonation is a type of combustion involving a supersonic exothermic front accelerating through a medium that eventually drives a shock front propagating directly in front of it. Detonations propagate supersonically through shock waves with speeds in the range of 1 km/sec and differ from deflagrations which have subsonic flame speeds in the range of 1 m/sec.
Nonlinear dimensionality reduction, also known as manifold learning, refers to various related techniques that aim to project high-dimensional data onto lower-dimensional latent manifolds, with the goal of either visualizing the data in the low-dimensional space, or learning the mapping itself. The techniques described below can be understood as generalizations of linear decomposition methods used for dimensionality reduction, such as singular value decomposition and principal component analysis.
In chemistry, the law of mass action is the proposition that the rate of the chemical reaction is directly proportional to the product of the activities or concentrations of the reactants. It explains and predicts behaviors of solutions in dynamic equilibrium. Specifically, it implies that for a chemical reaction mixture that is in equilibrium, the ratio between the concentration of reactants and products is constant.
Chemical kinetics, also known as reaction kinetics, is the branch of physical chemistry that is concerned with understanding the rates of chemical reactions. It is different from chemical thermodynamics, which deals with the direction in which a reaction occurs but in itself tells nothing about its rate. Chemical kinetics includes investigations of how experimental conditions influence the speed of a chemical reaction and yield information about the reaction's mechanism and transition states, as well as the construction of mathematical models that also can describe the characteristics of a chemical reaction.
Steam reforming or steam methane reforming (SMR) is a method for producing syngas (hydrogen and carbon monoxide) by reaction of hydrocarbons with water. Commonly natural gas is the feedstock. The main purpose of this technology is hydrogen production. The reaction is represented by this equilibrium:
A potential energy surface (PES) describes the energy of a system, especially a collection of atoms, in terms of certain parameters, normally the positions of the atoms. The surface might define the energy as a function of one or more coordinates; if there is only one coordinate, the surface is called a potential energy curve or energy profile. An example is the Morse/Long-range potential.
In quantum chemistry, a conical intersection of two or more potential energy surfaces is the set of molecular geometry points where the potential energy surfaces are degenerate (intersect) and the non-adiabatic couplings between these states are non-vanishing. In the vicinity of conical intersections, the Born–Oppenheimer approximation breaks down and the coupling between electronic and nuclear motion becomes important, allowing non-adiabatic processes to take place. The location and characterization of conical intersections are therefore essential to the understanding of a wide range of important phenomena governed by non-adiabatic events, such as photoisomerization, photosynthesis, vision and the photostability of DNA. The conical intersection involving the ground electronic state potential energy surface of the C6H3F3+ molecular ion is discussed in connection with the Jahn–Teller effect in Section 13.4.2 on pages 380-388 of the textbook by Bunker and Jensen.
Enzyme kinetics is the study of the rates of enzyme-catalysed chemical reactions. In enzyme kinetics, the reaction rate is measured and the effects of varying the conditions of the reaction are investigated. Studying an enzyme's kinetics in this way can reveal the catalytic mechanism of this enzyme, its role in metabolism, how its activity is controlled, and how a drug or a modifier might affect the rate.
Reaction–diffusion systems are mathematical models which correspond to several physical phenomena. The most common is the change in space and time of the concentration of one or more chemical substances: local chemical reactions in which the substances are transformed into each other, and diffusion which causes the substances to spread out over a surface in space.
Dissipative solitons (DSs) are stable solitary localized structures that arise in nonlinear spatially extended dissipative systems due to mechanisms of self-organization. They can be considered as an extension of the classical soliton concept in conservative systems. An alternative terminology includes autosolitons, spots and pulses.
Chemical looping combustion (CLC) is a technological process typically employing a dual fluidized bed system. CLC operated with an interconnected moving bed with a fluidized bed system, has also been employed as a technology process. In CLC, a metal oxide is employed as a bed material providing the oxygen for combustion in the fuel reactor. The reduced metal is then transferred to the second bed and re-oxidized before being reintroduced back to the fuel reactor completing the loop. Fig 1 shows a simplified diagram of the CLC process. Fig 2 shows an example of a dual fluidized bed circulating reactor system and a moving bed-fluidized bed circulating reactor system.
Stellar pulsations are caused by expansions and contractions in the outer layers as a star seeks to maintain equilibrium. These fluctuations in stellar radius cause corresponding changes in the luminosity of the star. Astronomers are able to deduce this mechanism by measuring the spectrum and observing the Doppler effect. Many intrinsic variable stars that pulsate with large amplitudes, such as the classical Cepheids, RR Lyrae stars and large-amplitude Delta Scuti stars show regular light curves.
The extended discrete element method (XDEM) is a numerical technique that extends the dynamics of granular material or particles as described through the classical discrete element method (DEM) by additional properties such as the thermodynamic state, stress/strain or electro-magnetic field for each particle. Contrary to a continuum mechanics concept, the XDEM aims at resolving the particulate phase with its various processes attached to the particles. While the discrete element method predicts position and orientation in space and time for each particle, the extended discrete element method additionally estimates properties such as internal temperature and/or species distribution or mechanical impact with structures.
Within bioinformatics, intrinsic Noise Analyzer (iNA) is an open source software for studying reaction kinetics in living cells. The software analyzes mathematical models of intracellular reaction kinetics such as gene expression, regulatory networks or signaling pathways to quantify concentration fluctuations due to the random nature of chemical reactions.
In mathematics, inertial manifolds are concerned with the long term behavior of the solutions of dissipative dynamical systems. Inertial manifolds are finite-dimensional, smooth, invariant manifolds that contain the global attractor and attract all solutions exponentially quickly. Since an inertial manifold is finite-dimensional even if the original system is infinite-dimensional, and because most of the dynamics for the system takes place on the inertial manifold, studying the dynamics on an inertial manifold produces a considerable simplification in the study of the dynamics of the original system.
Combustion models for CFD refers to combustion models for computational fluid dynamics. Combustion is defined as a chemical reaction in which a hydrocarbon fuel reacts with an oxidant to form products, accompanied with the release of energy in the form of heat. Being the integral part of various engineering applications like: internal combustion engines, aircraft engines, rocket engines, furnaces, and power station combustors, combustion manifests itself as a wide domain during the design, analysis and performance characteristics stages of the above-mentioned applications. With the added complexity of chemical kinetics and achieving reacting flow mixture environment, proper modeling physics has to be incorporated during computational fluid dynamic (CFD) simulations of combustion. Hence the following discussion presents a general outline of the various adequate models incorporated with the Computational fluid dynamic code to model the process of combustion.
References
- ↑ Maas, U.; Pope, S. B. (1992). "Implementation of simplified chemical kinetics based on intrinsic low-dimensional manifolds" (PDF). Symposium (International) on Combustion. 24: 103–112. doi:10.1016/S0082-0784(06)80017-2.
- ↑ Maas, U.; Pope, S. B. (1992). "Simplifying chemical kinetics: Intrinsic low-dimensional manifolds in composition space" (PDF). Combustion and Flame. 88 (3–4): 239. doi:10.1016/0010-2180(92)90034-M.
- ↑ Bongers, H.; Van Oijen, J. A.; De Goey, L. P. H. (2002). "Intrinsic low-dimensional manifold method extended with diffusion". Proceedings of the Combustion Institute. 29: 1371–1378. doi:10.1016/S1540-7489(02)80168-7.
- ↑ Tomlin, A. S.; Whitehouse, L.; Lowe, R. (2002). "The Estimation of Intrinsic Low Dimensional Manifold Dimension in Atmospheric Chemical Reaction Systems". Air Pollution Modelling and Simulation. p. 245. doi:10.1007/978-3-662-04956-3_25. ISBN 978-3-642-07637-4.
 | This physical chemistry-related article is a stub. You can help Wikipedia by expanding it. |