{ "info": { "author": "Adam Birdsall", "author_email": "abirdsall@gmail.com", "bugtrack_url": null, "classifiers": [ "Development Status :: 3 - Alpha", "Intended Audience :: Science/Research", "License :: OSI Approved :: MIT License", "Programming Language :: Python :: 2", "Programming Language :: Python :: 2.7", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.5", "Topic :: Scientific/Engineering :: Atmospheric Science", "Topic :: Scientific/Engineering :: Chemistry", "Topic :: Scientific/Engineering :: Physics" ], "description": "pyvap 0.1.1: kinetic model of particle evaporation\n==================================================\n\n.. image:: https://img.shields.io/pypi/v/pyvap.svg\n :target: https://pypi.python.org/pypi/pyvap/\n\n.. image:: https://travis-ci.org/awbirdsall/pyvap.svg?branch=master\n :target: https://travis-ci.org/awbirdsall/pyvap\n\npyvap models evaporation of components from a multicomponent spherical\nparticle. The model follows the treatment of Maxwellian flux given in\n*Atmospheric Chemistry & Physics* by Seinfeld and Pandis. The model is\nwritten in Python 3, with Scipy's ode solver.\n\nUsage\n-----\n\nExample code to model the evaporation of an equimolar mixture of\npolyethylene trimer and hexamer (PEG-3 and PEG-6) in a particle with\nstarting radius 5 micron, and create a figure of the output:\n\n::\n\n import pyvap\n import matplotlib.pyplot as plt\n import numpy as np\n\n # define model parameters\n peg3 = {\"name\": \"PEG-3\",\n \"Dg\": 5.95e-6,\n \"M\": 0.1502,\n \"rho\": 1108.0,\n \"cinf\": 0,\n \"p298\": 6.68e-2,\n \"delh\": 78.3e+3}\n peg6 = {\"name\": \"PEG-6\",\n \"Dg\": 4.26e-6,\n \"M\": 0.2823,\n \"rho\": 1180.0,\n \"cinf\": 0,\n \"p298\": 3.05e-5,\n \"delh\": 102.1e+3}\n cmpds = [peg3, peg6]\n # equimolar mixture of PEG-3 and PEG-6\n comp = [0.5, 0.5]\n r_init = 5e-6 # starting radius, m\n time = 2*60*60 # integration time, s\n numpts = 2000 # number of points to integrate\n temp = 298 # K\n\n # run model\n model = pyvap.analyze_evap(cmpds, comp, r_init, time, numpts, temp,\n makefig=True)\n\n # display generated figure during, e.g., interactive ipython session\n plt.show()\n\n # save generated figure\n evap_fig, (evap_ax0, evap_ax1) = model[\"evap_fig\"]\n evap_fig.savefig(\"evaporation.png\")\n\n # save csv of evaporation model output (no. of molecules of each component,\n # at each timestep)\n np.savetxt(\"evaporation.csv\", model[\"evap_a\"], delimiter=\",\")\n\nInstallation\n------------\n\nInstall using ``pip``.\n\nInstall from PyPI:\n\n::\n\n pip install pyvap\n\nInstall most recent Github commit (stability not guaranteed):\n\n::\n\n pip install git+https://github.com/awbirdsall/pyvap\n\nDependencies\n------------\n\nTested on Python 2.7 and 3.5.\n\nRequires ``numpy``, ``scipy``, and ``matplotlib>=1.5`` (automatically handled\nif using ``pip`` to install). I recommend using conda_ to install the Scipy\nstack on a Windows machine if ``pip`` is having issues.\n\n.. _conda: http://conda.pydata.org/docs/index.html\n\nRunning the tests requires ``pytest``.\n\nTesting\n-------\n\nTests are located in the ``tests/`` subfolder and can be run using ``pytest``. Tests also require ``numpy``.\n\nDevelopment\n-----------\n\nPosting issues or pull requests to the `github page`_ is welcome!\n\n.. _github page: https://github.com/awbirdsall/pyvap\n\n\n", "description_content_type": null, "docs_url": null, "download_url": "", "downloads": { "last_day": -1, "last_month": -1, "last_week": -1 }, "home_page": "https://github.com/awbirdsall/pyvap", "keywords": "kinetics,chemistry,evaporation", "license": "MIT", "maintainer": "", "maintainer_email": "", "name": "pyvap", "package_url": "https://pypi.org/project/pyvap/", "platform": "", "project_url": "https://pypi.org/project/pyvap/", "project_urls": { "Homepage": "https://github.com/awbirdsall/pyvap" }, "release_url": "https://pypi.org/project/pyvap/0.1.1/", "requires_dist": [ "matplotlib (>=1.5)", "numpy", "scipy" ], "requires_python": "", "summary": "Kinetic model of particle evaporation", "version": "0.1.1" }, "last_serial": 3123977, "releases": { "0.0.2": [ { "comment_text": "", "digests": { "md5": 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