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Maxwell–Stefan Diffusion
The Maxwell–Stefan diffusion (or Stefan–Maxwell diffusion) is a model for describing diffusion in multicomponent systems. The equations that describe these transport processes have been developed independently and in parallel by James Clerk MaxwellJ. C. Maxwell: ''On the dynamical theory of gases'', The Scientific Papers of J. C. Maxwell, 1965, 2, 26–78. for dilute gases and Josef StefanJ. Stefan: ''Über das Gleichgewicht und Bewegung, insbesondere die Diffusion von Gemischen'', Sitzungsberichte der Kaiserlichen Akademie der Wissenschaften Wien, 2te Abteilung a, 1871, 63, 63-124. for liquids. The Maxwell–Stefan equation is \frac = \nabla \ln a_i = \sum_^ = \sum_^ * ∇: vector differential operator * χ: Mole fraction * μ: Chemical potential * a: Activity * i, j: Indexes for component i and j * n: Number of components * \mathfrak_: Maxwell–Stefan-diffusion coefficient * \vec v_i: Diffusion velocity of component i * c_i: Molar concentration of component i * c: Total ...
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Mathematical Model
A mathematical model is a description of a system using mathematical concepts and language. The process of developing a mathematical model is termed mathematical modeling. Mathematical models are used in the natural sciences (such as physics, biology, earth science, chemistry) and engineering disciplines (such as computer science, electrical engineering), as well as in non-physical systems such as the social sciences (such as economics, psychology, sociology, political science). The use of mathematical models to solve problems in business or military operations is a large part of the field of operations research. Mathematical models are also used in music, linguistics, and philosophy (for example, intensively in analytic philosophy). A model may help to explain a system and to study the effects of different components, and to make predictions about behavior. Elements of a mathematical model Mathematical models can take many forms, including dynamical systems, statisti ...
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Steady State
In systems theory, a system or a Process theory, process is in a steady state if the variables (called state variables) which define the behavior of the system or the process are unchanging in time. In continuous time, this means that for those properties ''p'' of the system, the partial derivative with respect to time is zero and remains so: : \frac = 0 \quad \text t. In discrete time, it means that the first difference of each property is zero and remains so: :p_t-p_=0 \quad \text t. The concept of a steady state has relevance in many fields, in particular thermodynamics, Steady state economy, economics, and engineering. If a system is in a steady state, then the recently observed behavior of the system will continue into the future. In stochastic systems, the probabilities that various states will be repeated will remain constant. See for example Linear difference equation#Conversion to homogeneous form for the derivation of the steady state. In many systems, a steady state i ...
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Advanced Simulation Library
Advanced Simulation Library (ASL) is free and open-source hardware-accelerated multiphysics simulation platform. It enables users to write customized numerical solvers in C++ and deploy them on a variety of massively parallel architectures, ranging from inexpensive FPGAs, DSPs and GPUs up to heterogeneous clusters and supercomputers. Its internal computational engine is written in OpenCL and utilizes matrix-free solution techniques. ASL implements variety of modern numerical methods, i.a. level-set method, lattice Boltzmann, immersed Boundary. Mesh-free, immersed boundary approach allows users to move from CAD directly to simulation, reducing pre-processing efforts and number of potential errors. ASL can be used to model various coupled physical and chemical phenomena, especially in the field of computational fluid dynamics. It is distributed under the free GNU Affero General Public License with an optional commercial license (which is based on the permissive MIT License) ...
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Pervaporation
Pervaporation (or pervaporative separation) is a processing method for the separation of mixtures of liquids by partial vaporization through a non-porous or porous membrane. Theory The term ''pervaporation'' is a portmanteau of the two steps of the process: (a) permeation through the membrane by the permeate, then (b) its evaporation into the vapor phase. This process is used by a number of industries for several different processes, including purification and analysis, due to its simplicity and in-line nature. The membrane acts as a selective barrier between the two phases: the liquid-phase feed and the vapor-phase permeate. It allows the desired components of the liquid feed to transfer through it by vaporization. Separation of components is based on a difference in transport rate of individual components through the membrane. Typically, the upstream side of the membrane is at ambient pressure and the downstream side is under vacuum to allow the evaporation of the selective comp ...
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Fick's Laws Of Diffusion
Fick's laws of diffusion describe diffusion and were derived by Adolf Fick in 1855. They can be used to solve for the diffusion coefficient, . Fick's first law can be used to derive his second law which in turn is identical to the diffusion equation. A diffusion process that obeys Fick's laws is called normal or Fickian diffusion; otherwise, it is called anomalous diffusion or non-Fickian diffusion. History In 1855, physiologist Adolf Fick first reported* * his now well-known laws governing the transport of mass through diffusive means. Fick's work was inspired by the earlier experiments of Thomas Graham, which fell short of proposing the fundamental laws for which Fick would become famous. Fick's law is analogous to the relationships discovered at the same epoch by other eminent scientists: Darcy's law (hydraulic flow), Ohm's law (charge transport), and Fourier's Law (heat transport). Fick's experiments (modeled on Graham's) dealt with measuring the concentrations and f ...
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Diffusion Coefficient
Diffusivity, mass diffusivity or diffusion coefficient is a proportionality constant between the molar flux due to molecular diffusion and the gradient in the concentration of the species (or the driving force for diffusion). Diffusivity is encountered in Fick's law and numerous other equations of physical chemistry. The diffusivity is generally prescribed for a given pair of species and pairwise for a multi-species system. The higher the diffusivity (of one substance with respect to another), the faster they diffuse into each other. Typically, a compound's diffusion coefficient is ~10,000× as great in air as in water. Carbon dioxide in air has a diffusion coefficient of 16 mm2/s, and in water its diffusion coefficient is 0.0016 mm2/s. Diffusivity has dimensions of length2 / time, or m2/s in SI units and cm2/s in CGS units. Temperature dependence of the diffusion coefficient Solids The diffusion coefficient in solids at different temperatures is generally found ...
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Electrolytic
An electrolyte is a medium containing ions that is electrically conducting through the movement of those ions, but not conducting electrons. This includes most soluble salts, acids, and bases dissolved in a polar solvent, such as water. Upon dissolving, the substance separates into cations and anions, which disperse uniformly throughout the solvent. Solid-state electrolytes also exist. In medicine and sometimes in chemistry, the term electrolyte refers to the substance that is dissolved. Electrically, such a solution is neutral. If an electric potential is applied to such a solution, the cations of the solution are drawn to the electrode that has an abundance of electrons, while the anions are drawn to the electrode that has a deficit of electrons. The movement of anions and cations in opposite directions within the solution amounts to a current. Some gases, such as hydrogen chloride (HCl), under conditions of high temperature or low pressure can also function as electrolytes. El ...
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Gradient
In vector calculus, the gradient of a scalar-valued differentiable function of several variables is the vector field (or vector-valued function) \nabla f whose value at a point p is the "direction and rate of fastest increase". If the gradient of a function is non-zero at a point , the direction of the gradient is the direction in which the function increases most quickly from , and the magnitude of the gradient is the rate of increase in that direction, the greatest absolute directional derivative. Further, a point where the gradient is the zero vector is known as a stationary point. The gradient thus plays a fundamental role in optimization theory, where it is used to maximize a function by gradient ascent. In coordinate-free terms, the gradient of a function f(\bf) may be defined by: :df=\nabla f \cdot d\bf where ''df'' is the total infinitesimal change in ''f'' for an infinitesimal displacement d\bf, and is seen to be maximal when d\bf is in the direction of the gradi ...
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Flux
Flux describes any effect that appears to pass or travel (whether it actually moves or not) through a surface or substance. Flux is a concept in applied mathematics and vector calculus which has many applications to physics. For transport phenomena, flux is a vector quantity, describing the magnitude and direction of the flow of a substance or property. In vector calculus flux is a scalar quantity, defined as the surface integral of the perpendicular component of a vector field over a surface. Terminology The word ''flux'' comes from Latin: ''fluxus'' means "flow", and ''fluere'' is "to flow". As ''fluxion'', this term was introduced into differential calculus by Isaac Newton. The concept of heat flux was a key contribution of Joseph Fourier, in the analysis of heat transfer phenomena. His seminal treatise ''Théorie analytique de la chaleur'' (''The Analytical Theory of Heat''), defines ''fluxion'' as a central quantity and proceeds to derive the now well-known express ...
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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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Molar Concentration
Molar concentration (also called molarity, amount concentration or substance concentration) is a measure of the concentration of a chemical species, in particular of a solute in a solution, in terms of amount of substance per unit volume of solution. In chemistry, the most commonly used unit for molarity is the number of moles per liter, having the unit symbol mol/L or mol/ dm3 in SI unit. A solution with a concentration of 1 mol/L is said to be 1 molar, commonly designated as 1 M. Definition Molar concentration or molarity is most commonly expressed in units of moles of solute per litre of solution. For use in broader applications, it is defined as amount of substance of solute per unit volume of solution, or per unit volume available to the species, represented by lowercase c: :c = \frac = \frac = \frac. Here, n is the amount of the solute in moles, N is the number of constituent particles present in volume V (in litres) of the solution, and N_\text is the Av ...
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Activity (chemistry)
In chemical thermodynamics, activity (symbol ) is a measure of the "effective concentration" of a species in a mixture, in the sense that the species' chemical potential depends on the activity of a real solution in the same way that it would depend on concentration for an ideal solution. The term "activity" in this sense was coined by the American chemist Gilbert N. Lewis in 1907. By convention, activity is treated as a dimensionless quantity, although its value depends on customary choices of standard state for the species. The activity of pure substances in condensed phases (solid or liquids) is normally taken as unity (the number 1). Activity depends on temperature, pressure and composition of the mixture, among other things. For gases, the activity is the effective partial pressure, and is usually referred to as fugacity. The difference between activity and other measures of concentration arises because the interactions between different types of molecules in non-ideal gas ...
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