ISAT-CK7: Fortran 90 libraries for the efficient implementation of combustion chemistry


The ISAT-CK7 package contains several Fortran libraries developed by Ithaca Combustion Enterprise, LLC and by the Turbulence and Combustion Group at Cornell University. This package is made available under the BSD 3-Clause license.

The principal components of the package and their functions are:

The package also includes:

Other publications in which the performance of ISAT-CK /RCCE/x2f_mpi have been examined include [9].



The ISAT-CK7 source code can be downloaded from here:

The zip archive consists of two folders:

Follow the instructions given in the README.txt files included in the ISAT and x2f_mpi folders to build and install the code. Example test cases are also provided to help demonstrate the use of ISAT-CK7 and x2f_mpi.

Information on how to link to external libraries like CHEMKIN II is provided in the README_dependencies.txt file included in the ISAT folder.



A copy of the original ISAT-CK 3.0 user guide is available here:

This user guide describes the basic usage of ISAT-CK and ISATAB features. The current version of ISAT-CK7 adds more features to both ISAT-CK and ISATAB, however none of the interface routines (present in version 3.0) have been changed to maintain backward compatibility. The user is encouraged to refer to this manual to understand the working of ISAT-CK and ISATAB.

The new dimension reduction modes - ICE-PIC and RCCE - are not documented in the above manual. However, example test files and documentation is provided with the source code on how to use these modes.


The algorithm used in CEQ is described in the report "The computation of constrained and unconstrained equilibrium compositions of ideal gas mixtures using Gibbs function continuation" by S.B. Pope, Cornell University Report FDA 03-02 (2003).

You may also refer to S.B. Pope (2004) "Gibbs function continuation for the stable computation of chemical equilibrium," Combustion and Flame, 139, 222-226.


The algorithms used in the ELL_LIB library are described in the report "Algorithms for ellipsoids" by S.B. Pope, Cornell University Report FDA 08-01 (2008).



In publications using this software, please cite the relevant publications (listed below) and also this web site, i.e.,


The versions of ICE-PIC and x2f_mpi included in the package supersede (and are significantly different to) previous versions. The versions of CEQ and ELL_LIB are essentially the same as previous versions, but contain minor bug fixes.


The development of different aspects of the package at Cornell University have been supported in part by several grants:

National Science Foundation under Grant No. CBET-0426787.

Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences, Geosciences and Biosciences Division of the US Department of Energy (DOE) under Grant No. DE-FG02-90ER.

Grant No. FA9550-09-1-0611 funded by the National Center for Hypersonic Combined Cycle Propulsion, sponsored by the AFOSR and NASA ARMD.

NASA under Grant No. NNX08AB36A.

(See publications for details.)


[1] S.B. Pope (1997) "Computationally efficient implementation of combustion chemistry using in situ adaptive tabulation", Combustion Theory and Modelling, 1, 41- 63.

[2] S.B. Pope (2004) "Gibbs function continuation for the stable computation of chemical equilibrium", Combustion and Flame, 139, 222-226.

[3] Z. Ren, S.B. Pope, A. Vladimirsky and J.M. Guckenheimer (2006) "The invariant constrained equilibrium preimage curve method for the dimension reduction of chemical kinetics", Journal of Chemical Physics, 124, 114111.

[4] L. Lu and S.B. Pope (2009) "An improved algorithm for in situ adaptive tabulation", Journal of Computational Physics, 228, 361-386.

[5] L. Lu, S. R. Lantz, Z. Ren and S. B. Pope (2009) "Computationally efficient implementation of combustion chemistry in parallel PDF calculations", Journal of Computational Physics, 228, 5490-5525.

[6] Z. Ren, G.M. Goldin, V. Hiremath and S.B. Pope (2011) "Reduced description of reactive flows with tabulated chemistry", Combustion Theory and Modelling, 15, 827-848.

[7] V. Hiremath, Z. Ren and S.B. Pope (2011) "Combined dimension reduction and tabulation strategy using ISAT-RCCE-GALI for the efficient implementation of combustion chemistry", Combustion & Flame, 158, 2113-2127.

[8] V. Hiremath, S.R. Lantz, H. Wang and S.B. Pope (2012) "Computationally-efficient and scalable parallel implementation of chemistry in simulations of turbulent combustion", Combustion and Flame, 159(12), 3096-3109.

[9] V. Hiremath, S.R. Lantz, H. Wang and S.B. Pope (2012) "Large-scale parallel simulations of turbulent combustion using combined dimension reduction and tabulation of chemistry", Proceedings of the Combustion Institute, 34, (to be published).

[10] V. Hiremath and S.B. Pope (2012) "A study of the rate-controlled constrained-equilibrium dimension reduction method and its different implementations", Combustion Theory and Modelling, (to be published).

The html page is generated from the text file with the following command:

txt2html ISAT-CK7.txt > ISAT-CK7.html

(Last modified on 3/15/13 by Steve Lantz)