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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 [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Python (programming Language)
Python is a high-level, general-purpose programming language. Its design philosophy emphasizes code readability with the use of significant indentation. Python is dynamically-typed and garbage-collected. It supports multiple programming paradigms, including structured (particularly procedural), object-oriented and functional programming. It is often described as a "batteries included" language due to its comprehensive standard library. Guido van Rossum began working on Python in the late 1980s as a successor to the ABC programming language and first released it in 1991 as Python 0.9.0. Python 2.0 was released in 2000 and introduced new features such as list comprehensions, cycle-detecting garbage collection, reference counting, and Unicode support. Python 3.0, released in 2008, was a major revision that is not completely backward-compatible with earlier versions. Python 2 was discontinued with version 2.7.18 in 2020. Python consistently ranks as ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Open-source Software
Open-source software (OSS) is computer software that is released under a license in which the copyright holder grants users the rights to use, study, change, and distribute the software and its source code to anyone and for any purpose. Open-source software may be developed in a collaborative public manner. Open-source software is a prominent example of open collaboration, meaning any capable user is able to participate online in development, making the number of possible contributors indefinite. The ability to examine the code facilitates public trust in the software. Open-source software development can bring in diverse perspectives beyond those of a single company. A 2008 report by the Standish Group stated that adoption of open-source software models has resulted in savings of about $60 billion per year for consumers. Open source code can be used for studying and allows capable end users to adapt software to their personal needs in a similar way user scripts an ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
California Institute Of Technology
The California Institute of Technology (branded as Caltech or CIT)The university itself only spells its short form as "Caltech"; the institution considers other spellings such a"Cal Tech" and "CalTech" incorrect. The institute is also occasionally referred to as "CIT", most notably in its alma mater, but this is uncommon. is a private research university in Pasadena, California. Caltech is ranked among the best and most selective academic institutions in the world, and with an enrollment of approximately 2400 students (acceptance rate of only 5.7%), it is one of the world's most selective universities. The university is known for its strength in science and engineering, and is among a small group of institutes of technology in the United States which is primarily devoted to the instruction of pure and applied sciences. The institution was founded as a preparatory and vocational school by Amos G. Throop in 1891 and began attracting influential scientists such as George Ellery H ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Matlab
MATLAB (an abbreviation of "MATrix LABoratory") is a proprietary multi-paradigm programming language and numeric computing environment developed by MathWorks. MATLAB allows matrix manipulations, plotting of functions and data, implementation of algorithms, creation of user interfaces, and interfacing with programs written in other languages. Although MATLAB is intended primarily for numeric computing, an optional toolbox uses the MuPAD symbolic engine allowing access to symbolic computing abilities. An additional package, Simulink, adds graphical multi-domain simulation and model-based design for dynamic and embedded systems. As of 2020, MATLAB has more than 4 million users worldwide. They come from various backgrounds of engineering, science, and economics. History Origins MATLAB was invented by mathematician and computer programmer Cleve Moler. The idea for MATLAB was based on his 1960s PhD thesis. Moler became a math professor at the University of New Mexico and starte ... [...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] |
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] |
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] |
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] |
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] |
Computational Chemistry Software
Computation is any type of arithmetic or non-arithmetic calculation that follows a well-defined model (e.g., an algorithm). Mechanical or electronic devices (or, historically, people) that perform computations are known as ''computers''. An especially well-known discipline of the study of computation is computer science. Physical process of Computation Computation can be seen as a purely physical process occurring inside a closed physical system called a computer. Examples of such physical systems are digital computers, mechanical computers, quantum computers, DNA computers, molecular computers, microfluidics-based computers, analog computers, and wetware computers. This point of view has been adopted by the physics of computation, a branch of theoretical physics, as well as the field of natural computing. An even more radical point of view, pancomputationalism (inaudible word), is the postulate of digital physics that argues that the evolution of the universe is itself a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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