Pytherm
UNIQUAC/UNIFAC liquid activities and binary solid solubility.
Overview
Calculate liquid activity coefficients and excess Gibbs energy with Pytherm UNIQUAC or classic UNIFAC, or estimate pure-solid saturation in a binary liquid. All structural, group, and interaction parameters are supplied explicitly; no bundled parameter database is used. Solid solubility assumes a pure crystalline solute and neglects heat-capacity corrections and liquid-liquid phase separation.
Run Pytherm on Neurosnap
The Pytherm online webserver allows anybody with a Neurosnap account to run and access Pytherm, no downloads required. Information submitted through this webserver is kept confidential and never sold to third parties as detailed by our strong Terms of Use and Privacy Policy.
Features
- UNIQUAC or classic UNIFAC with explicit, user-supplied parameters.
- Per-component activities and excess molar Gibbs energy.
- Binary solid-solubility estimates from melting point and fusion enthalpy.
Statistics
Neurosnap periodically calculates runtime statistics based on job execution data. These estimates provide a general guideline for how long your job may take, but actual runtimes can vary significantly depending on factors like input size or settings used.
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API Request
Access Pytherm using the Neurosnap API by sending a request using any programming language with HTTP support. To safely generate an API key, visit the API tab of your overview page.
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Citations
Please cite the original work when using Pytherm in publications or research outputs.
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https://github.com/PsiXYZ/pytherm |
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Neurosnap Inc. (2022). Neurosnap: An online platform for computational biology and chemistry. Available at: https://neurosnap.ai/ |