ThermoPack
Mixture flash equilibrium and bubble/dew pressures.
Overview
Calculate vapor-liquid flash equilibrium or saturation pressure with ThermoPack Peng–Robinson and Soave–Redlich–Kwong equations of state for a supported set of small-molecule mixtures. Cubic models provide engineering estimates and may be inadequate for strongly associating pharmaceutical systems.
Run ThermoPack on Neurosnap
The ThermoPack online webserver allows anybody with a Neurosnap account to run and access ThermoPack, 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
- Standard molecule widget with explicit supported-compound checks.
- TP flash, bubble pressure, and dew pressure in one service.
- Phase fractions and component compositions in CSV.
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 ThermoPack 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 ThermoPack in publications or research outputs.
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https://github.com/thermotools/thermopack |
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Neurosnap Inc. (2022). Neurosnap: An online platform for computational biology and chemistry. Available at: https://neurosnap.ai/ |