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Do you work with chemical reactors? Are you curious about them? ASALI is the open-source code that you are looking for. Chemical reactor models, transport/thermodynamic properties of gases, equilibrium calculations. ASALI couples all these features with an user friendly graphical interface. Modeling catalytic reactors has never been so easy.

Home Page: https://srebughini.github.io/ASALI/

License: GNU General Public License v3.0

Shell 0.58% C 20.65% C++ 52.50% MATLAB 3.02% Fortran 9.33% Python 0.16% Java 8.70% Dockerfile 0.05% Rust 5.01%
catalytic-reactors transport-properties thermodynamic-properties windows ubuntu chemical-equilibrium-calculations cantera gas-mixtures vacuum-properties equilibrium

asali's Introduction

Contributions welcome Website

ASALI: Modeling and beyond

Asali is an open-source code developed for engineers, chemists and students working on the modeling of gas phase mixture.

The GUI version of Asali, thanks to its user-friendly interface, is very helpful for those approaching the modeling of gas phase mixture for the first time. Moreover, its deep interaction with Cantera allows more expert users in performing detailed simulations without losing time in coding their own models.

Instead, the API version of Asali is designed for those approaching the modeling of gas phase mixture with the goal of becoming experts in the field. The API version can be easily integrated in different programming languages and it is the perfect starting point for everyone.

If you are looking for something more advanced and with higher performance, we suggest OpenSMOKE++ and Cantera.

Infos

Branch Code quality Last commit Number of commits
master CodeFactor Grade (with branch) GitHub last commit (branch) GitHub commit activity (branch)
api CodeFactor Grade (with branch) GitHub last commit (branch) GitHub commit activity (branch)
gh-pages CodeFactor Grade (with branch) GitHub last commit (branch) GitHub commit activity (branch)
cantera-input-files CodeFactor Grade (with branch) GitHub last commit (branch) GitHub commit activity (branch)

Contacts

For any question/issue contact us:

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[email protected] Asali Asali

asali's People

Contributors

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asali's Issues

Mass and mole fraction for diffusion transport properties appear inverted

Describe the bug
I ran a python script with Cantera to calculate mixture averaged diffusion coefficients with a certain T, P and composition (mass fraction). I tried to calculate the same coefficients with ASALI. If I choose mass fractions for the composition in the python script, I only get the same answer if I select mole fraction in the ASALI GUI. vice versa.

To Reproduce
Steps to reproduce the behavior:

  1. run the attached script, which is setup for mass fraction
  2. run ASALI, use the default parameters and got to transport properties. Enter the same mass fraction composition, T and P as the Py Script
  3. The diffusion coefficients in ASALI will be different
  4. Hit back on the GUI
  5. Change mass to mole fraction in the ASALI GUI. Now the mixture diffusion coefficients will match between ASALI and the Python script

Expected behavior
I expected that the mixture averaged diffusion coefficients would be the same in both the Python script and in ASALI when both the Python script and ASALI accept the composition in mass fraction

Desktop (please complete the following information):

  • OS: Ubuntu
  • Version 22.04

Additional context
diffusionCoeff.py.txt

Add Carbon/Rust API

Feature request

ASALI should be improved with modern programming languages. I suggest to start working with:

Solution that we would like to have

This improvement should be added to the api branch.
Since new contributors are always welcome, here a short TODO list to make the implementation of new programming languages easier:

  • Develop the files parser (usually called database-generator): ASALI properties estimation method is based on 4 different files, containing fitting parameters for the formula that should be implemented. NASA standardized the file structure long time ago, so please dont change it!!! To make the use of ASALI-API more user-friendly, we decided to hard-code this parameters. For this reason, the file parser should read those files and convert them into hard-coded vector/matrix. An example can be found here.
  • Develop the set/get function: ASALI requires to set some properties (e.g. Temperature, Pressure, Composition) and get other properties (e.g Viscosity, Density). Here, you can find a list of the get and set function required, with also the type of variable required.
  • Develop the core formulas: ASALI is based on mathematical formulas to estimate gas mixture properties. Once you need them, feel free to comment this issue.
  • Develop the example: To improve the user experience of ASALI-API, we add examples to show how to use it.

Comments

@andreee94: you might be interested in this

C API: Too slow

This issue is related to the elapsed time comparison of the API version of ASALI.
The comparison shows that the C version is too slow compared to the Fortran and C++ version, therefore we need some help to improve it.

We are looking for contributors that can help us writing a more efficient C code for ASALI.

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