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Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) model code (used within the online model AIOMFAC-web)

License: GNU General Public License v3.0

Fortran 97.57% Makefile 0.45% Perl 1.89% Batchfile 0.09%
aiomfac unifac activity-coefficients aiomfac-web activity water-activity thermodynamic-models organic-inorganic solution aerosol

aiomfac's Introduction

AIOMFAC-web, Public Model Code Repository

This public repository provides the AIOMFAC model Fortran code (AIOMFAC-web, version 2.20 or newer) and additional information about building and running the model on your own system. May it be of use to you.

License

All files presented here are covered under the GNU GPL license v3.0. For more information, please read the license file. A brief overview of the viable permissions can be found here: http://choosealicense.com/licenses/.

About AIOMFAC

AIOMFAC stands for Aerosol Inorganic–Organic Mixtures Functional groups Activity Coefficients, it is a thermodynamic group-contribution model to describe non-ideal mixing in liquid solutions. If you are unfamiliar with the purpose and applications of AIOMFAC, please visit the AIOMFAC website https://aiomfac.lab.mcgill.ca for more information.

AIOMFAC-web model versions and related code and feature updates

Information associated with specific model versions, including comments on major AIOMFAC-web changes and new features, are provided on the page accompanying that release; see under releases.

Applications, Modifications and Citation

If you use any of our AIOMFAC code in your own projects / code, following the GNU license restrictions, we would appreciate hearing about it. In scientific or other publications, we also request that you reference the main peer-reviewed publications which describe the theoretical underpinning of the AIOMFAC model and its parameterizations, as described in more detail on the AIOMFAC website: https://aiomfac.lab.mcgill.ca/citation.html.

aiomfac's People

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aiomfac's Issues

Compilation error after update to 3.0

Thanks for updating the code with new features.

When running make make all I get the following error

f951: Error: Cannot open file ‘./Mod_PureViscosPar.f90’
<built-in>: Fatal Error: cannot open input file: ./Mod_PureViscosPar.f90

Removing the underscore error in the Makefile fixes this issue. However, it still fails after this:

gfortran  -c  -O3 -fbounds-check -ffree-line-length-none -Wconversion    -c	./ModSRunifac.f90
./ModSRunifac.f90:42:5:

   42 | USE ModSRparam, ONLY : ARR, BRR, CRR, SR_RR, SR_QQ
      |     1
Fatal Error: Cannot open module file ‘modsrparam.mod’ for reading at (1): No such file or directory

I played a little bit more with the Makefile and manual compilation and made some progress, but ultimately couldn't find a solution to build an executable.

Question about ammonium bisulfate

Hi, I am trying to compute the activity coefficient for the mixture with organic and ammonium bisulfate. However, I received the error message said "Program received signal SIGSEGV: Segmentation fault - invalid memory reference". When I switched to ammonium sulfate, no such error appeared. Is there any limitation for the calculation of ammonium bisulfate system?

input_0404.txt

I use the same input downloaded from the website. With the same input, I have the results from the web-online but error message from the offline code.

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