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Example notebooks for ChemPy

\n", "\n", "This is a collection of demonstration notebooks for chempy. The chempy package contains classes and functions for modelling e.g. chemical kinetics, chemical equilibria (e.g. speciation problems). It also collects a steadily growing collection of parametrizations of various chemical properties from the litterature.\n", "\n", "You can view these notebooks online with [Binder](https://mybinder.org/v2/gh/bjodah/chempy/50e1e69b790fc69e5a945c2090de3d9dc636c728?filepath=index.ipynb). \n", "\n", "## Example notebooks\n", "\n", "### Kinetics\n", "- [Parameter variation studies of kinetic systems (with units)](examples/kinetics_decay_chain_units_varied_params.ipynb)\n", "- [Interactive kinetic modelling](examples/interactive_kinetic_modelling.ipynb)\n", "- [Kinetic modelling with time-varying conditions](examples/kinetics_ode_time_dependent.ipynb)\n", "- [Protein binding & undfolding – a four-state model](examples/protein_binding_unfolding_4state_model.ipynb)\n", "- [Continuously stirred tank reactor (CSTR)](examples/kinetics_cstr.ipynb)\n", "- [Aqueous radiolysis - looking at dominant reactions in kinetic models](examples/aqueous_radiolysis.ipynb)\n", "\n", "\n", "### Equilibira\n", "- [Copper(II)amine complexes (speciation)](examples/ammonical_cupric_solution.ipynb)\n", "- [Simple system of equilibria for aqueous ammonia](examples/Ammonia.ipynb)\n", "- [NaCl precipitation (multi-phase equilibria)](examples/NaCl_precipitation.ipynb)\n", "\n", "### Other\n", "- [Exploring Debye-Hückel theory for electrolytes](examples/demo_debye_huckel.ipynb)\n", "\n", "\n", "\n", "there are additional (less polished) notebooks available [here](examples/) (those also serve as test cases on the CI-server)." ] } ], "metadata": { "anaconda-cloud": {}, "kernelspec": { "display_name": "Python 3", "language": "python", "name": "python3" }, "language_info": { "codemirror_mode": { "name": "ipython", "version": 3 }, "file_extension": ".py", "mimetype": "text/x-python", "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", "version": "3.6.4" } }, "nbformat": 4, "nbformat_minor": 2 }