Chemical Kinetics in Jupyter Lab

A small set of Python functions created in Jupyter Lab to:

Estimate rate laws by the initial rates method.
Determine the concentrations of components in a mixture by UV-Vis absorption spectroscopy and Full-Spectrum Quantitation (FSQ).

Usage

Clone this repository.
Each Jupyter Lab notebook has an auto-generated .py file so users can import functions from the package into their code. For example:

from kinetics.initial_rates import compInitialRate

The Jupyter Lab notebooks contain the documented functions alongside a theoretical background and a step-by-step method of computation.

Name		Name	Last commit message	Last commit date
Latest commit History 6 Commits
.gitignore		.gitignore
DU640_spectrum.ipynb		DU640_spectrum.ipynb
DU640_spectrum.py		DU640_spectrum.py
FSQ.ipynb		FSQ.ipynb
FSQ.py		FSQ.py
LICENSE		LICENSE
NMR_integration.ipynb		NMR_integration.ipynb
NMR_integration.py		NMR_integration.py
README.md		README.md
__init__.py		__init__.py
initial_rates.ipynb		initial_rates.ipynb
initial_rates.py		initial_rates.py
initial_rates_tests.ipynb		initial_rates_tests.ipynb
initial_rates_tests.py		initial_rates_tests.py
json_definitions.ipynb		json_definitions.ipynb
json_definitions.py		json_definitions.py
util.ipynb		util.ipynb
util.py		util.py