The Kinetic PreProcessor (KPP) is an
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. Op ...
tool used in
atmospheric chemistry
Atmospheric chemistry is a branch of atmospheric science in which the chemistry of the Earth's atmosphere and that of other planets is studied. It is a multidisciplinary approach of research and draws on environmental chemistry, physics, meteoro ...
. Taking a set of chemical reactions and their rate coefficients as input, KPP generates
Fortran 90,
FORTRAN 77,
C, or
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 ...
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
In mathematics, a Jacobian, named for Carl Gustav Jacob Jacobi, may refer to:
*Jacobian matrix and determinant
*Jacobian elliptic functions
*Jacobian variety
*Intermediate Jacobian
In mathematics, the intermediate Jacobian of a compact Kähler m ...
and of the
Hessian
A Hessian is an inhabitant of the German state of Hesse.
Hessian may also refer to:
Named from the toponym
*Hessian (soldier), eighteenth-century German regiments in service with the British Empire
**Hessian (boot), a style of boot
**Hessian f ...
. 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
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 es ...
system based on a
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 co ...
and created by the
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. Crea ...
(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 Atmospheric Chemical Complexity
GEOS–Chem- Global 3-D chemical transport model for atmospheric composition
MALTE- Model to predict new aerosol formation in the lower troposphere
MCM- Master Chemical Mechanism
MECCA- Module Efficiently Calculating the Chemistry of the Atmosphere
Mistra- Microphysical Stratus model
PACT-1D- Platform for Atmospheric Chemistry and vertical Transport in 1-dimension
PALM- Meteorological modeling system for atmospheric and oceanic boundary layer flows
RACM- Regional Atmospheric Chemistry Mechanism gas-phase chemistry mechanism
WRF-Chem- Weather Research & Forecasting Model with Chemistry
See also
*
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 wh ...
*
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 chemis ...
*
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 dev ...
*
Cantera
Cantera, literally meaning "quarry" in Spanish, is a term used in Spain to refer to youth academies and farm teams organized by sports clubs. It is also used to refer to the geographical area that clubs recruit players from. The term is widely u ...
*
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 ...
External links
KPP documentationGitHub repositoryKPP web pageThe Kinetic PreProcessor KPP 3.0.0The Kinetic PreProcessor KPP-2.1Forward, Tangent Linear, and Adjoint Runge Kutta Methods in KPP–2.2 for Efficient Chemical Kinetic SimulationsKPPA (the Kinetic PreProcessor: Accelerated)KPP Fortran to CUDA source-to-source Pre-processor (Open License)
{{Chemistry software
Computational chemistry software
Chemical kinetics
Environmental chemistry