Chemical WorkBench
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Chemical WorkBench
Chemical WorkBench is a proprietary simulation software tool aimed at the reactor scale kinetic modeling of homogeneous gas-phase and heterogeneous processes and kinetic mechanism development. It can be effectively used for the modeling, optimization, and design of a wide range of industrially and environmentally important chemistry-loaded processes. Chemical WorkBench is a modeling environment based on advanced scientific approaches, complementary databases, and accurate solution methods. Chemical WorkBench is developed and distributed by Kintech Lab. Chemical WorkBench models Chemical WorkBench has an extensive library of physicochemical models: *Thermodynamic Models *Gas-Phase Kinetic Models *Flame model *Heterogeneous Kinetic Models *Non-Equilibrium Plasma Models *Detonation and Aerodynamic Models *Membrane Separation Models *Mechanism Analysis and Reduction Fields of application Chemical WorkBench can be used by researchers and engineers working in the following fields: *Gene ...
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Proprietary Software
Proprietary software is software that is deemed within the free and open-source software to be non-free because its creator, publisher, or other rightsholder or rightsholder partner exercises a legal monopoly afforded by modern copyright and intellectual property law to exclude the recipient from freely sharing the software or modifying it, and—in some cases, as is the case with some patent-encumbered and EULA-bound software—from making use of the software on their own, thereby restricting his or her freedoms. It is often contrasted with open-source or free software. For this reason, it is also known as non-free software or closed-source software. Types Origin Until the late 1960s computers—large and expensive mainframe computers, machines in specially air-conditioned computer rooms—were usually leased to customers rather than sold. Service and all software available were usually supplied by manufacturers without separate charge until 1969. Computer vendors ...
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Pollution
Pollution is the introduction of contaminants into the natural environment that cause adverse change. Pollution can take the form of any substance (solid, liquid, or gas) or energy (such as radioactivity, heat, sound, or light). Pollutants, the components of pollution, can be either foreign substances/energies or naturally occurring contaminants. Although environmental pollution can be caused by natural events, the word pollution generally implies that the contaminants have an anthropogenic source – that is, a source created by human activities. Pollution is often classed as point source or nonpoint source pollution. In 2015, pollution killed nine million people worldwide (one in six deaths). This remained unchanged in 2019, with little real progress against pollution being identifiable. Air pollution accounted for of these earlier deaths. Major forms of pollution include air pollution, light pollution, litter, noise pollution, plastic pollution, soil contamination, radioactiv ...
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Chemical Engineering Software
A chemical substance is a form of matter having constant chemical composition and characteristic properties. Some references add that chemical substance cannot be separated into its constituent elements by physical separation methods, i.e., without breaking chemical bonds. Chemical substances can be simple substances (substances consisting of a single chemical element), chemical compounds, or alloys. Chemical substances are often called 'pure' to set them apart from mixtures. A common example of a chemical substance is pure water; it has the same properties and the same ratio of hydrogen to oxygen whether it is isolated from a river or made in a laboratory. Other chemical substances commonly encountered in pure form are diamond (carbon), gold, table salt (sodium chloride) and refined sugar (sucrose). However, in practice, no substance is entirely pure, and chemical purity is specified according to the intended use of the chemical. Chemical substances exist as solid ...
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Kinetic PreProcessor
The Kinetic PreProcessor (KPP) is an open-source software tool used in atmospheric chemistry. Taking a set of chemical reactions and their rate coefficients as input, KPP generates Fortran 90, FORTRAN 77, C, or Matlab code of the resulting ordinary differential equations (ODEs). Solving the ODEs allows the temporal integration of the kinetic system. Efficiency is obtained by exploiting the sparsity structures of the Jacobian and of the Hessian. A comprehensive suite of stiff numerical integrators is also provided. Moreover, KPP can be used to generate the tangent linear model, as well as the continuous and discrete adjoint models of the chemical system. Models using KPP BASCOE- A data assimilation system based on a chemical transport model and created by the Belgian Institute for Space Aeronomy (BIRA-IASB) Boream- Model for the degradation of alpha-pinene BOXMOX- Box model extensions to KPP CMAQ- Community Multiscale Air Quality model DSMACC- Dynamically Simple Model of Atm ...
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CHEMKIN
CHEMKIN is a proprietary software tool for solving complex chemical kinetics problems. It is used worldwide in the combustion, chemical processing, microelectronics and automotive industries, and also in atmospheric science. It was originally developed at Sandia National Laboratories and is now developed by a US company, Reaction Design. CHEMKIN solves thousands of reaction combinations to develop a comprehensive understanding of a particular process, which might involve multiple chemical species, concentration ranges, and gas temperatures. Chemical kinetics simulation software allows for a more time-efficient investigation of a potential new process compared to direct laboratory investigation. One important driver for the development and use of CHEMKIN is the reduction of pollutants, such as NOx. As these pollutants become more tightly regulated through agreements by agencies such as the United States Environmental Protection Agency and the California Air Resource Board (CARB ...
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Cantera (software)
Cantera is an open-source chemical kinetics software used for solving chemically reacting laminar flows. It has been used as a third-party library in external reacting flow simulation codes, such as FUEGO and CADS, using Fortran, C++, etc. to evaluate properties and chemical source terms that appear in the application's governing equations. Cantera was originally written and developed by Prof. Dave Goodwin of California Institute of Technology. It is written in C++ and can be used from C++, Python, Matlab and Fortran. See also * Chemical kinetics * Autochem * CHEMKIN * Chemical WorkBench Chemical WorkBench is a proprietary simulation software tool aimed at the reactor scale kinetic modeling of homogeneous gas-phase and heterogeneous processes and kinetic mechanism development. It can be effectively used for the modeling, optimizat ... * Kinetic PreProcessor (KPP) References External links Cantera Github repository
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Autochem
AutoChem is NASA release software that constitutes an automatic computer code generator and documenter for chemically reactive systems written by David Lary between 1993 and the present. It was designed primarily for modeling atmospheric chemistry, and in particular, for chemical data assimilation. The user selects a set of chemical species. AutoChem then searches chemical reaction databases for these species and automatically constructs the ordinary differential equations (ODE) that describe the chemical system. AutoChem symbolically differentiates the time derivatives to give the Jacobian matrix, and symbolically differentiates the Jacobian matrix to give the Hessian matrix and the adjoint. The Jacobian matrix is required by many algorithms that solve the ordinary differential equations numerically, particular when the ODEs are stiff. The Hessian matrix and the adjoint are required for four-dimensional variational data assimilation (4D-Var). AutoChem documents the whole pr ...
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Chemical Kinetics
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 to be contrasted with 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. History In 1864, Peter Waage and Cato Guldberg pioneered the development of chemical kinetics by formulating the law of mass action, which states that the speed of a chemical reaction is proportional to the quantity of the reacting substances.C.M. Guldberg and P. Waage,"Studies Concerning Affinity" ''Forhandlinger i Videnskabs-Selskabet i Christiania'' (1864), 35P. W ...
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Electricity Generation
Electricity generation is the process of generating electric power from sources of primary energy. For electric utility, utilities in the electric power industry, it is the stage prior to its Electricity delivery, delivery (Electric power transmission, transmission, Electric power distribution, distribution, etc.) to end users or its Grid energy storage, storage (using, for example, the Pumped-storage hydroelectricity, pumped-storage method). Electricity is not freely available in nature, so it must be "produced" (that is, transforming other forms of energy to electricity). Production is carried out in power stations (also called "power plants"). Electricity is most often generated at a power plant by electromechanical electric generator, generators, primarily driven by heat engines fueled by combustion or nuclear fission but also by other means such as the kinetic energy of flowing water and wind. Other energy sources include solar photovoltaics and geothermal power. There are al ...
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Education
Education is a purposeful activity directed at achieving certain aims, such as transmitting knowledge or fostering skills and character traits. These aims may include the development of understanding, rationality, kindness, and honesty. Various researchers emphasize the role of critical thinking in order to distinguish education from indoctrination. Some theorists require that education results in an improvement of the student while others prefer a value-neutral definition of the term. In a slightly different sense, education may also refer, not to the process, but to the product of this process: the mental states and dispositions possessed by educated people. Education originated as the transmission of cultural heritage from one generation to the next. Today, educational goals increasingly encompass new ideas such as the liberation of learners, skills needed for modern society, empathy, and complex vocational skills. Types of education are commonly divided into formal ...
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Plasma (physics)
Plasma () 1, where \nu_ is the electron gyrofrequency and \nu_ is the electron collision rate. It is often the case that the electrons are magnetized while the ions are not. Magnetized plasmas are ''anisotropic'', meaning that their properties in the direction parallel to the magnetic field are different from those perpendicular to it. While electric fields in plasmas are usually small due to the plasma high conductivity, the electric field associated with a plasma moving with velocity \mathbf in the magnetic field \mathbf is given by the usual Lorentz force, Lorentz formula \mathbf = -\mathbf\times\mathbf, and is not affected by Debye shielding. Mathematical descriptions To completely describe the state of a plasma, all of the particle locations and velocities that describe the electromagnetic field in the plasma region would need to be written down. However, it is generally not practical or necessary to keep track of all the particles in a plasma. Therefore, plasma physicist ...
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Waste Treatment
Waste treatment refers to the activities required to ensure that waste has the least practicable impact on the environment. In many countries various forms of waste treatment are required by law. Solid waste treatment The treatment of solid wastes is a key component of waste management. Different forms of solid waste treatment are graded in the waste hierarchy. Waste water treatment Agricultural waste water treatment Agricultural wastewater treatment is treatment and disposal of liquid animal waste, pesticide residues etc. from agriculture. Industrial wastewater treatment Industrial wastewater treatment is the treatment of wet wastes from factories, mines, power plants and other commercial facilities. Sewage treatment Sewage treatment is the treatment and disposal of human waste. Sewage is produced by all human communities. Treatment in urbanized areas is typically handled by centralized treatment systems. Alternative systems may use composting processes or processes that se ...
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