thermo

library0.6.0pypypi✓ verified 84d ago

thermo is a chemical properties component of the Chemical Engineering Design Library (ChEDL). Version 0.6.0 provides extensive pure component, mixture, and reaction properties, with correlations for thermophysical, transport, and critical properties. Released regularly via PyPI with active development.

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pip install thermo

github ↗homepage ↗

INSTALL

IMPORT

SIG · THERMO

thermo

devopspythonv0.6.0

harness data pending

Install & Compatibility

Where this runs

No compatibility data collected yet for this library.

Code

Verified usage

Verified import paths — ran on the pinned version, not inferred.

Chemical

✓ from thermo import Chemical

✗ old_module.Chemical()

Previously available via thermo.chemical, but direct from thermo is correct.

Mixture

✓ from thermo import Mixture

✗ thermo.mixture.Mixture()

Common mistake: accessing via submodule instead of top-level.

Reaction

✓ from thermo import Reaction

✗ thermo.reaction.Reaction()

Use top-level import for simplicity.

Create a Chemical object and calculate properties at specified conditions.

from thermo import Chemical # Create a chemical by CAS number, name, or formula water = Chemical('water') print(f"MW: {water.MW:.3f} g/mol") print(f"Tb: {water.Tb:.2f} K") print(f"Tc: {water.Tc:.2f} K") print(f"Pc: {water.Pc:.2f} Pa") print(f"Vc: {water.Vc:.6f} m3/mol") # Change temperature to calculate properties water.calculate(298.15) print(f"Density at 298.15 K: {water.rho:.3f} kg/m3") print(f"Viscosity at 298.15 K: {water.mu:.6f} Pa*s")

Debug

Known issues

breakingIn version 0.6.0, the Chemical class no longer auto-calculates all properties at default temperature; you must call .calculate() explicitly.

fix

After creating a Chemical object (e.g., water = Chemical('water')), call water.calculate(T) to set temperature and compute properties.

affects: >=0.6.0

deprecatedDirect access to properties like .rho, .mu, etc. without calling .calculate() first returns None or raises an AttributeError in 0.6.0.

fix

Always use .calculate(temperature) before accessing calculated properties.

affects: 0.6.0

gotchaThe Chemical constructor with only identifier may take long due to database loading; avoid creating many Chemicals in a loop.

fix

Create once and reuse, or use Chemical.from_data() if you have pre-loaded data.

affects: all

Errors

Common errors & fixes

AttributeError: 'Chemical' object has no attribute 'rho'

In version 0.6.0, properties are not auto-computed; you must call .calculate(T) first.

fix

Add water.calculate(298.15) before accessing water.rho.

ModuleNotFoundError: No module named 'thermo.chemical'

Import path changed; top-level import is now from thermo import Chemical.

fix

Use from thermo import Chemical instead of import thermo.chemical.

ValueError: Could not parse chemical identifier 'H2O'

Incorrect identifier format; some strings (like 'H2O') may not be recognized.

fix

Use a known CAS number, common name (e.g., 'water'), or molecular formula with correct capitalization (e.g., 'H2O' works). Check thermo.Chemical.search() for valid identifiers.

Upgrade

Version history

0.6.0latest on PyPI · released Oct 26, 2025

Audit

Dependencies

numpyrequiredRequired for array operations and numerical methods.

scipyrequiredRequired for interpolation and optimization routines.

pandasoptionalUsed for data handling and optional CSV/Excel output.

Agent activity

41 hits · last 30 days

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OpenAI (training)

Resources

githubhttps://github.com/CalebBell/thermo ↗

homepagehttps://github.com/CalebBell/thermo ↗