|
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 A ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cross-platform
In computing, cross-platform software (also called multi-platform software, platform-agnostic software, or platform-independent software) is computer software that is designed to work in several computing platforms. Some cross-platform software requires a separate build for each platform, but some can be directly run on any platform without special preparation, being written in an interpreted language or compiled to portable bytecode for which the interpreters or run-time packages are common or standard components of all supported platforms. For example, a cross-platform application may run on Microsoft Windows, Linux, and macOS. Cross-platform software may run on many platforms, or as few as two. Some frameworks for cross-platform development are Codename One, Kivy, Qt, Flutter, NativeScript, Xamarin, Phonegap, Ionic, and React Native. Platforms ''Platform'' can refer to the type of processor (CPU) or other hardware on which an operating system (OS) or application runs, t ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Data Assimilation
Data assimilation is a mathematical discipline that seeks to optimally combine theory (usually in the form of a numerical model) with observations. There may be a number of different goals sought – for example, to determine the optimal state estimate of a system, to determine initial conditions for a numerical forecast model, to interpolate sparse observation data using (e.g. physical) knowledge of the system being observed, to set numerical parameters based on training a model from observed data. Depending on the goal, different solution methods may be used. Data assimilation is distinguished from other forms of machine learning, image analysis, and statistical methods in that it utilizes a dynamical model of the system being analyzed. Data assimilation initially developed in the field of numerical weather prediction. Numerical weather prediction models are equations describing the dynamical behavior of the atmosphere, typically coded into a computer program. In order to use th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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 ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Belgian Institute For Space Aeronomy
The Royal Belgian Institute for Space Aeronomy (BIRA-IASB) ( nl, Koninklijk Belgisch Instituut voor Ruimte-Aeronomie - BIRA, french: Institut royal d'aéronomie spatiale de Belgique - IASB) is a Belgian federal scientific research institute. Created in 1964, its main tasks are research and public service in space aeronomy, which is the physics and chemistry of the atmosphere of the Earth and other planets, and of outer space. The scientists rely on ground-based, balloon-, air- or space-borne instruments and computer models. History On 25 November 1964 the Aeronomical Service is separated from the Royal Meteorological Institute (RMI) and lives on as a scientific institution of the state with the name: Belgian Institute for Space Aeronomy (BIRA-IASB). In 2014, BIRA-IASB celebrates its 50th anniversary and gains its royal statute. On this occasion, the Institute gathere50 important events in its history The institute has as main competence, tasks of public service and research in th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Transport Model
A chemical transport model (CTM) is a type of computer numerical model which typically simulates atmospheric chemistry and may give air pollution forecasting Air pollution forecasting is the application of science and technology to predict the composition of the air pollution in the atmosphere for a given location and time. An algorithm prediction of the pollutant concentrations can be translated into .... Chemical transport models and general circulation models While related global climate model, general circulation models (GCMs) focus on simulating overall atmospheric dynamics (e.g. fluid flow, fluid and heat flows), a CTM instead focuses on the stocks and flows of one or more chemical species. Similarly, a CTM must solve only the continuity equation for its species of interest, a GCM must solve all the primitive equations for the atmosphere; but a CTM will be expected to accurately represent the entire biogeochemical cycle, cycle for the species of interest, including Flux# ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Hessian Matrix
In mathematics, the Hessian matrix or Hessian is a square matrix of second-order partial derivatives of a scalar-valued function, or scalar field. It describes the local curvature of a function of many variables. The Hessian matrix was developed in the 19th century by the German mathematician Ludwig Otto Hesse and later named after him. Hesse originally used the term "functional determinants". Definitions and properties Suppose f : \R^n \to \R is a function taking as input a vector \mathbf \in \R^n and outputting a scalar f(\mathbf) \in \R. If all second-order partial derivatives of f exist, then the Hessian matrix \mathbf of f is a square n \times n matrix, usually defined and arranged as follows: \mathbf H_f= \begin \dfrac & \dfrac & \cdots & \dfrac \\ .2ex \dfrac & \dfrac & \cdots & \dfrac \\ .2ex \vdots & \vdots & \ddots & \vdots \\ .2ex \dfrac & \dfrac & \cdots & \dfrac \end, or, by stating an equation for the coefficients using indices i and j, (\mathbf H_f)_ = \fra ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
List Of Numerical Analysis Software
Listed here are notable end-user computer applications intended for use with numerical or data analysis: Numerical-software packages General-purpose computer algebra systems Interface-oriented Language-oriented Historically significant * Expensive Desk Calculator written for the TX-0 and PDP-1 The PDP-1 (''Programmed Data Processor-1'') is the first computer in Digital Equipment Corporation's PDP series and was first produced in 1959. It is famous for being the computer most important in the creation of hacker culture at Massachusetts ... in the late 1950s or early 1960s. * S is an (array-based) programming language with strong numerical support. R is an implementation of the S language. See also References {{DEFAULTSORT:Numerical Analysis Software Lists of software Mathematics-related lists *Software ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Jacobian Matrix And Determinant
In vector calculus, the Jacobian matrix (, ) of a vector-valued function of several variables is the matrix of all its first-order partial derivatives. When this matrix is square, that is, when the function takes the same number of variables as input as the number of vector components of its output, its determinant is referred to as the Jacobian determinant. Both the matrix and (if applicable) the determinant are often referred to simply as the Jacobian in literature. Suppose is a function such that each of its first-order partial derivatives exist on . This function takes a point as input and produces the vector as output. Then the Jacobian matrix of is defined to be an matrix, denoted by , whose th entry is \mathbf J_ = \frac, or explicitly :\mathbf J = \begin \dfrac & \cdots & \dfrac \end = \begin \nabla^ f_1 \\ \vdots \\ \nabla^ f_m \end = \begin \dfrac & \cdots & \dfrac\\ \vdots & \ddots & \vdots\\ \dfrac & \cdots ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
