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Chemical Reaction Model
Chemical reaction models transform physical knowledge into a mathematical formulation that can be utilized in computational simulation of practical problems in chemical engineering. Computer simulation provides the flexibility to study chemical processes under a wide range of conditions. Modeling of a chemical reaction involves solving conservation equations describing convection, diffusion, and reaction source for each component species. Species transport equation : \frac{\partial t} + \nabla \cdot ( \rho \vec v Y _i) = - \nabla \cdot \vec J _i + R _i ''R''''i'' is the net rate of production of species ''i'' by chemical reaction and ''S''''i'' is the rate of creation by addition from the dispersed phase and the user defined source. ''J''''i'' is the diffusion flux of species ''i'', which arises due to concentration gradients and differs in both laminar and turbulent flows. In turbulent flows, computational fluid dynamics also considers the effects of turbulent diffusivity. ...
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Simulation
A simulation is the imitation of the operation of a real-world process or system over time. Simulations require the use of models; the model represents the key characteristics or behaviors of the selected system or process, whereas the simulation represents the evolution of the model over time. Often, computers are used to execute the simulation. Simulation is used in many contexts, such as simulation of technology for performance tuning or optimizing, safety engineering, testing, training, education, and video games. Simulation is also used with scientific modelling of natural systems or human systems to gain insight into their functioning, as in economics. Simulation can be used to show the eventual real effects of alternative conditions and courses of action. Simulation is also used when the real system cannot be engaged, because it may not be accessible, or it may be dangerous or unacceptable to engage, or it is being designed but not yet built, or it may simply ...
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Chemical Engineering
Chemical engineering is an engineering field which deals with the study of operation and design of chemical plants as well as methods of improving production. Chemical engineers develop economical commercial processes to convert raw materials into useful products. Chemical engineering uses principles of chemistry, physics, mathematics, biology, and economics to efficiently use, produce, design, transport and transform energy and materials. The work of chemical engineers can range from the utilization of nanotechnology and nanomaterials in the laboratory to large-scale industrial processes that convert chemicals, raw materials, living cells, microorganisms, and energy into useful forms and products. Chemical engineers are involved in many aspects of plant design and operation, including safety and hazard assessments, process design and analysis, modeling, control engineering, chemical reaction engineering, nuclear engineering, biological engineering, construction specificati ...
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Chemical Reaction
A chemical reaction is a process that leads to the chemical transformation of one set of chemical substances to another. Classically, chemical reactions encompass changes that only involve the positions of electrons in the forming and breaking of chemical bonds between atoms, with no change to the nuclei (no change to the elements present), and can often be described by a chemical equation. Nuclear chemistry is a sub-discipline of chemistry that involves the chemical reactions of unstable and radioactive elements where both electronic and nuclear changes can occur. The substance (or substances) initially involved in a chemical reaction are called reactants or reagents. Chemical reactions are usually characterized by a chemical change, and they yield one or more products, which usually have properties different from the reactants. Reactions often consist of a sequence of individual sub-steps, the so-called elementary reactions, and the information on the precise co ...
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Convection
Convection is single or multiphase fluid flow that occurs spontaneously due to the combined effects of material property heterogeneity and body forces on a fluid, most commonly density and gravity (see buoyancy). When the cause of the convection is unspecified, convection due to the effects of thermal expansion and buoyancy can be assumed. Convection may also take place in soft solids or mixtures where particles can flow. Convective flow may be transient (such as when a multiphase mixture of oil and water separates) or steady state (see Convection cell). The convection may be due to gravitational, electromagnetic or fictitious body forces. Heat transfer by natural convection plays a role in the structure of Earth's atmosphere, its oceans, and its mantle. Discrete convective cells in the atmosphere can be identified by clouds, with stronger convection resulting in thunderstorms. Natural convection also plays a role in stellar physics. Convection is often cate ...
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Diffusion
Diffusion is the net movement of anything (for example, atoms, ions, molecules, energy) generally from a region of higher concentration to a region of lower concentration. Diffusion is driven by a gradient in Gibbs free energy or chemical potential. It is possible to diffuse "uphill" from a region of lower concentration to a region of higher concentration, like in spinodal decomposition. The concept of diffusion is widely used in many fields, including physics (particle diffusion), chemistry, biology, sociology, economics, and finance (diffusion of people, ideas, and price values). The central idea of diffusion, however, is common to all of these: a substance or collection undergoing diffusion spreads out from a point or location at which there is a higher concentration of that substance or collection. A gradient is the change in the value of a quantity, for example, concentration, pressure, or temperature with the change in another variable, usually distance. A change in c ...
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Computational Fluid Dynamics
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 ( liquids and gases) 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. CFD is appli ...
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Turbulent
In fluid dynamics, turbulence or turbulent flow is fluid motion characterized by chaotic changes in pressure and flow velocity. It is in contrast to a laminar flow, which occurs when a fluid flows in parallel layers, with no disruption between those layers. Turbulence is commonly observed in everyday phenomena such as surf, fast flowing rivers, billowing storm clouds, or smoke from a chimney, and most fluid flows occurring in nature or created in engineering applications are turbulent. Turbulence is caused by excessive kinetic energy in parts of a fluid flow, which overcomes the damping effect of the fluid's viscosity. For this reason turbulence is commonly realized in low viscosity fluids. In general terms, in turbulent flow, unsteady vortices appear of many sizes which interact with each other, consequently drag due to friction effects increases. This increases the energy needed to pump fluid through a pipe. The onset of turbulence can be predicted by the dimensionless Reyn ...
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Laminar Flow
In fluid dynamics, laminar flow is characterized by fluid particles following smooth paths in layers, with each layer moving smoothly past the adjacent layers with little or no mixing. At low velocities, the fluid tends to flow without lateral mixing, and adjacent layers slide past one another like playing cards. There are no cross-currents perpendicular to the direction of flow, nor eddies or swirls of fluids. In laminar flow, the motion of the particles of the fluid is very orderly with particles close to a solid surface moving in straight lines parallel to that surface. Laminar flow is a flow regime characterized by high momentum diffusion and low momentum convection. When a fluid is flowing through a closed channel such as a pipe or between two flat plates, either of two types of flow may occur depending on the velocity and viscosity of the fluid: laminar flow or turbulent flow. Laminar flow occurs at lower velocities, below a threshold at which the flow becomes turbulent ...
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Eddy (fluid Dynamics)
In fluid dynamics, an eddy is the swirling of a fluid and the reverse current (water), current created when the fluid is in a Turbulence, turbulent flow regime. The moving fluid creates a space devoid of downstream-flowing fluid on the downstream side of the object. Fluid behind the obstacle flows into the void creating a swirl of fluid on each edge of the obstacle, followed by a short reverse flow of fluid behind the obstacle flowing upstream, toward the back of the obstacle. This phenomenon is naturally observed behind large emergent rocks in swift-flowing rivers. An eddy is a movement of fluid that deviates from the general flow of the fluid. An example for an eddy is a vortex which produces such deviation. However, there are other types of eddies that are not simple vortices. For example, a Rossby wave is an eddy which is an undulation that is a deviation from mean flow, but doesn't have the local closed streamlines of a vortex. Swirl and eddies in engineering The propensity o ...
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Svante Arrhenius
Svante August Arrhenius ( , ; 19 February 1859 – 2 October 1927) was a Swedish scientist. Originally a physicist, but often referred to as a chemist, Arrhenius was one of the founders of the science of physical chemistry. He received the Nobel Prize for Chemistry in 1903, becoming the first Swedish Nobel laureate. In 1905, he became director of the Nobel Institute, where he remained until his death."Arrhenius, Svante August" in '' Chambers's Encyclopædia''. London: George Newnes, 1961, Vol. 1, p. 635. Arrhenius was the first to use principles of physical chemistry to estimate the extent to which increases in atmospheric carbon dioxide are responsible for the Earth's increasing surface temperature. His work played an important role in the emergence of modern climate science. In the 1960s, Charles David Keeling demonstrated that the quantity of human-caused carbon dioxide emissions into the air is enough to cause global warming. The Arrhenius equation, Arrhenius acid, ...
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Supersonic
Supersonic speed is the speed of an object that exceeds the speed of sound (Mach 1). For objects traveling in dry air of a temperature of 20 °C (68 °F) at sea level, this speed is approximately . Speeds greater than five times the speed of sound (Mach 5) are often referred to as hypersonic. Flights during which only some parts of the air surrounding an object, such as the ends of rotor blades, reach supersonic speeds are called transonic. This occurs typically somewhere between Mach 0.8 and Mach 1.2. Sounds are traveling vibrations in the form of pressure waves in an elastic medium. Objects move at supersonic speed when the objects move faster than the speed at which sound propagates through the medium. In gases, sound travels longitudinally at different speeds, mostly depending on the molecular mass and temperature of the gas, and pressure has little effect. Since air temperature and composition varies significantly with altitude, the speed of ...
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Magnussen Model
Magnussen model is a popular method for computing reaction rates as a function of both mean concentrations and turbulence levels (Magnussen and Hjertager). Originally developed for combustion, it can also be used for liquid reactions by tuning some of its parameters. The model consists of rates calculated by two primary means. An Arrhenius, or kinetic rate, R_, for species i' in reaction k, is governed by the local mean species concentrations and temperature in the following way: : R_ = - \nu_ M_i A_k T^ \exp \prod_^ \left C_ \right = K_ M_ \prod_^ \left C_ \right This expression describes the rate at which species i' is consumed in reaction k. The constants A_k and E_k, the Arrhenius pre-exponential factor and activation energy, respectively, are adjusted for specific reactions, often as the result of experimental measurements. The stoichiometry for species i' in reaction k is represented by the factor \nu_, and is positive or negative, depending upon whether the species serv ...
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