{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "# Lithium Ion Battery Example"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Note: the example below requires Cantera 2.5.0a2 or newer\n",
    "\n",
    "If the stable release of 2.5.0 is not yet available, you might consider [building from source](https://cantera.org/install/compiling-install.html). Note also that 2.5.0, once released, is more recent than and supercedes 2.5.0a2, which is an alpha release."
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "## Open circuit calculations as a function of anode and cathode lithium content.\n",
    " \n",
    "In this example we will illustrate how to calculate the open circuit voltage (voltage when the external applied current is 0) for a lithium ion battery.  The thermodynamics are based on a graphite anode and a LiCoO2 cathode (the typical/standard active materials for commercial batteries, as of 2019), and are modeled using the 'BinarySolutionTabulatedThermo' class.\n",
    "\n",
    "For the sake of simplicity, we're going to assume that the anode and cathode capacities are perfectly balanced (i.e. if the cathode lithium content is X percent of its max possible (i.e. its capacity), then we will assume that the anode is at 1-X percent.  Without loss of generality, we will define the anode composition.\n",
    "\n",
    "The routine below returns the cell voltage (in Volt) of a lithium-ion cell for a given cell current and active material lithium stoichiometries.\n",
    "\n",
    "Note that the function 'E_cell' below has even greater capabilities than what we use, here. It calculates the steady state cell voltage, at a given composition and cell current, for a given electrolyte ionic resistance.  This functionality is presented in greater detail in the reference (which also describes the derivation of the BinarySolutionTabulatedThermo class): M. Mayur, S. DeCaluwe, B. L. Kee, W. G. Bessler, \"Modeling thermodynamics and kinetics of intercalation phases for lithium-ion batteries in open source software\", currently under review at _Electrochimica Acta_.  In the future, this example may be developed further to demonstrate simulating charge-discharge of the lithium ion battery.\n",
    "\n",
    "\n",
    "Other than the typical Cantera dependencies, plotting functions require that you have matplotlib installed, and finding the electrode potentials uses Scipy's fsolve. See https://matplotlib.org/ and https://docs.scipy.org/doc/scipy/reference/generated/scipy.optimize.fsolve.html for additional info.\n",
    "\n",
    "The open circuit (i.e. equilibrium) voltage, here, is calculated via two means: kinetically and thermodynamically.\n",
    "\n",
    "The system here, can be thought of as consisting of two particles--anode and cathode--connected by a liquid electrolyte:\n",
    "\n",
    "<img src=\"images/SingleParticleBattery.png\" alt=\"Cartoon of a Single Particle Battery Model\" style=\"width: 500px;\"/>\n",
    "\n",
    "### Kinetic equilibrium calculations\n",
    "In the kinetic equilibrium problem, steady state is achieved when the faradaic current at each electrode (anode and cathode) surface and the ionic current through the electrolyte are all zero.  There are, essentially, four relevant electric potentials which must be determined:\n",
    "\n",
    "- $\\phi_{\\rm anode}$: electric potential of graphite anode.\n",
    "- $\\phi_{\\rm elyte,\\, anode}$: electric potential of electrolyte at anode interface.\n",
    "- $\\phi_{\\rm elyte,\\, cathode}$: electric potential of electrolyte at cathode interface.\n",
    "- $\\phi_{\\rm cathode}$: electric potential of LCO cathode.\n",
    "\n",
    "Setting one of these four to the reference potential of zero (because it is the difference in electric potential which drives currents, the actual potential values are irrelevant. Let's assume the anode electric potential is zero), there is only one distribution of electric potentials across the cell such that the current is invariant across the cell.  I.e. we want the potentials such that:\n",
    "\n",
    "\\begin{equation}\n",
    "i_{\\rm Far,\\, anode} = i_{\\rm ionic} = i_{\\rm Far,\\,cathode}= i_{\\rm app}\n",
    "\\end{equation}\n",
    "\n",
    "where $i_{\\rm app}$ is the user input for the applied current.  For this example, we assume an applied current of 0, to calculate the equilibrium voltage.\n",
    "\n",
    "#### Faradaic current\n",
    "The Faradaic current for this model is calculated using Butler-Volmer kinetics.  For a Li-ion battery, this is:\n",
    "\n",
    "\\begin{equation}\n",
    "i = S_{\\rm elde}i_\\circ\\left[\\exp\\left(\\frac{F\\beta\\eta}{RT}\\right) - \\exp\\left(-\\frac{F(1-\\beta)\\eta}{RT}\\right) \\right]\n",
    "\\end{equation}\n",
    "\n",
    "where $S_{\\rm elde}$ is the specific surface area of the electrode in question, $F$ is Faraday's constant, $\\beta$ is the charge-transfer symmetry parameter, $R$ the universal gas constant, $T$ the temperature, and $\\eta$ the overpotential, which is the electric potential difference between the electrode and electrolyte, $\\Delta \\phi = \\phi_{\\rm elde} - \\phi_{\\rm elyte}$, relative to that at equilibrium, $\\Delta \\phi_{\\rm eq}$:\n",
    "\n",
    "\\begin{equation}\n",
    "\\eta = \\Delta \\phi - \\Delta \\phi_{\\rm eq}\n",
    "\\end{equation}\n",
    "\n",
    "$i_\\circ$ is known as the \"exchange current density,\" which is equal to the rate of the forward and reverse current at equilibrium (which are equal).  $i_\\circ$ and $\\beta$ are provided as user inputs in the cti file.  At any particular state, (user-specified electric potentials, pressure, temperature, and chemical compositions), Cantera calculates $\\eta$ as part of the routine to evaluate reaction rates of progress $\\left(\\dot{q} = \\frac{i_{\\rm Far}}{F}\\right)$. The user simply sets the state values mentioned above.\n",
    "\n",
    "#### Ionic current\n",
    "The electrolyte is modeled as a resistor with user-defined ionic resistance $R_{\\rm io}$, and hence the ionic current is calculated as:\n",
    "\n",
    "\\begin{equation}\n",
    "i_{\\rm ionic} = \\frac{\\phi_{\\rm elyte,\\,ca} - \\phi_{\\rm elyte,\\,an}}{R_{\\rm io}}\n",
    "\\end{equation}\n",
    "\n",
    "where positive current is defined as delivering Li$^+$ to the anode interface.  Given $i_{\\rm app}$, this equation can be inverted, to calculate the electric potential of the electrolyte at the cathode interface, relative to that at the anode interface:\n",
    "\n",
    "\\begin{equation}\n",
    "\\phi_{\\rm elyte,\\,ca} = \\phi_{\\rm elyte,\\,an} + R_{\\rm io}i_{\\rm app} \n",
    "\\end{equation}\n",
    "\n",
    "Again: in this example, $i_{\\rm app} = 0$ and hence the two electric potential values in the electrolyte are equal.\n",
    "\n",
    "#### Numerical routine\n",
    "For the kinetic routine, there are three processes to determine the cell voltage $\\phi_{\\rm cathode} - \\phi_{\\rm anode}$ which corresponds to the user-provided $i_{\\rm app}$:\n",
    "1. Determine the $\\phi_{\\rm elyte,\\,anode}$ value which corresponds to $i_{\\rm app}$, given $X_{\\rm Li, anode}$, the percentage of Li in the anode active material.\n",
    "2. Determine $\\phi_{\\rm elyte,\\,cathode}$, given $\\phi_{\\rm elyte,\\,anode}$ and $i_{\\rm app}$.\n",
    "3. Determine the $\\phi_{\\rm cathode}$ which corresponds to $i_{\\rm app}$, given $\\phi_{\\rm elyte,\\,cathode}$ and $X_{\\rm Li, anode}$, the percentage of Li in the anode active material.\n",
    "\n",
    "The routines below are written generally such that an interested user may set $i_{\\rm app}$ to any value of interest.\n",
    "\n",
    "#### Import necessary packages:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {
    "scrolled": true
   },
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "Runnning Cantera version: 2.5.0a2\n"
     ]
    }
   ],
   "source": [
    "import cantera as ct\n",
    "print('Runnning Cantera version: ' + ct.__version__)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "import numpy as np\n",
    "\n",
    "from scipy.optimize import fsolve\n",
    "\n",
    "# Used for timing our calculations:\n",
    "import time\n",
    "\n",
    "# Plotting:\n",
    "%matplotlib notebook\n",
    "import matplotlib.pyplot as plt\n",
    "\n",
    "plt.rcParams['axes.labelsize'] = 16\n",
    "plt.rcParams['xtick.labelsize'] = 12\n",
    "plt.rcParams['ytick.labelsize'] = 12\n",
    "plt.rcParams['figure.autolayout'] = True"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Define the phases\n",
    "\n",
    "The phase thermodynamics are defined according to experimentally-measured open circuit voltage values, as desscribed in the reference provided above:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [],
   "source": [
    "inputCTI = 'data/lithium_ion_battery.cti'\n",
    "anode = ct.Solution(inputCTI, 'anode');\n",
    "cathode = ct.Solution(inputCTI, 'cathode');\n",
    "# The 'elde' electrode phase is needed as a source/sink for electrons:\n",
    "elde = ct.Solution(inputCTI, 'electron');\n",
    "elyte = ct.Solution(inputCTI, 'electrolyte');\n",
    "anode_interface = ct.Interface(inputCTI, 'edge_anode_electrolyte', [anode, elde, elyte]);\n",
    "cathode_interface = ct.Interface(inputCTI, 'edge_cathode_electrolyte', [cathode, elde, elyte]);"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Define battery conditions : temperature, pressure, stoichiometry, electrolyte resistance:\n",
    "\n",
    "Inputs are:\n",
    "- Stoichiometries X_Li_ca and X_Li_an [-] (can be vectors)\n",
    "- Temperature T [K]\n",
    "- Pressure P [Pa]\n",
    "- Externally-applied current i_app [A]\n",
    "- Electrolyte resistance R_elyte [Ohm]\n",
    "- Anode total surface area S_an [m^2]\n",
    "- Cathode total surface area S_ca [m^2]\n"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [],
   "source": [
    "# Array of lithium mole fractions in the anode:\n",
    "X_Li_an = np.arange(0.005, 0.995, 0.02)\n",
    "# Assume that the cathode and anode capacities are balanced:\n",
    "X_Li_ca = 1. - X_Li_an;\n",
    "\n",
    "# I_app = 0: Open circuit\n",
    "I_app = 0.;\n",
    "\n",
    "# At zero current, electrolyte resistance is irrelevant:\n",
    "R_elyte = 0.;\n",
    "\n",
    "# Temperature and pressure\n",
    "T = 300 # K\n",
    "P = ct.one_atm\n",
    "\n",
    "F = ct.faraday\n",
    "\n",
    "S_ca = 1.1167; # [m^2] Cathode total active material surface area\n",
    "S_an = 0.7824; # [m^2] Anode total active material surface area"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Set phase temperatures and pressures:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [],
   "source": [
    "phases = [anode, elde, elyte, cathode, anode_interface, cathode_interface];\n",
    "for ph in phases:\n",
    "    ph.TP = T, P"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Helper Functions:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [],
   "source": [
    "def anode_curr(phi_l,I_app,phi_s,X_Li_an):\n",
    "\n",
    "    # Set the active material mole fraction\n",
    "    anode.X = 'Li[anode]:' + str(X_Li_an) + ', V[anode]:' + str(1 - X_Li_an)\n",
    "\n",
    "    # Set the electrode and electrolyte potential\n",
    "    elde.electric_potential = phi_s\n",
    "    elyte.electric_potential = phi_l\n",
    "\n",
    "    # Get the net product rate of electrons in the anode (per m2^ interface)\n",
    "    r_elec = anode_interface.get_net_production_rates(elde)\n",
    "\n",
    "    anCurr = r_elec*ct.faraday*S_an;\n",
    "    diff = I_app + anCurr\n",
    "    \n",
    "    return diff\n",
    "\n",
    "def cathode_curr(phi_s,I_app,phi_l,X_Li_ca):\n",
    "    \n",
    "    # Set the active material mole fractions\n",
    "    cathode.X = 'Li[cathode]:' + str(X_Li_ca) + ', V[cathode]:' + str(1 - X_Li_ca)\n",
    "\n",
    "    # Set the electrode and electrolyte potential\n",
    "    elde.electric_potential = phi_s\n",
    "    elyte.electric_potential = phi_l\n",
    "    \n",
    "    # Get the net product rate of electrons in the cathode (per m2^ interface)\n",
    "    r_elec = cathode_interface.get_net_production_rates(elde)\n",
    "    \n",
    "    caCurr = r_elec*ct.faraday*S_an;\n",
    "    diff = I_app - caCurr\n",
    "    \n",
    "    return diff"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Run the calculations for all stoichiometries:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "49 cell voltages calculated in 0.61 seconds.\n"
     ]
    }
   ],
   "source": [
    "# Tic\n",
    "t0 = time.time()\n",
    "\n",
    "# Initialize array of OCVs:\n",
    "E_cell_kin = np.zeros_like(X_Li_ca)\n",
    "\n",
    "for i,X_an in enumerate(X_Li_an):\n",
    "    #Set anode electrode potential to 0:\n",
    "    phi_s_an = 0\n",
    "    E_init = 3.0\n",
    "   \n",
    "    phi_l_an = fsolve(anode_curr,E_init,args=(I_app, phi_s_an, X_an))\n",
    "    \n",
    "    # Calculate electrolyte potential at cathode interface:\n",
    "    phi_l_ca = phi_l_an + I_app*R_elyte;\n",
    "    \n",
    "    # Calculate cathode electrode potential\n",
    "    phi_s_ca = fsolve(cathode_curr,E_init,args=(I_app, phi_l_ca, X_Li_ca[i]))\n",
    "    \n",
    "    # Calculate cell voltage\n",
    "    E_cell_kin[i] = phi_s_ca - phi_s_an\n",
    "    \n",
    "    \n",
    "# Toc\n",
    "t1 = time.time()\n",
    "print('{:d} cell voltages calculated in {:3.2f} seconds.'.format(i, t1 - t0))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Plot cell voltage, as a function of the cathode stoichiometry:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "metadata": {},
   "outputs": [
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       "    }\n",
       "\n",
       "    // Set the figure to an initial 600x600px, this will subsequently be updated\n",
       "    // upon first draw.\n",
       "    this._resize_canvas(600, 600);\n",
       "\n",
       "    // Disable right mouse context menu.\n",
       "    $(this.rubberband_canvas).bind(\"contextmenu\",function(e){\n",
       "        return false;\n",
       "    });\n",
       "\n",
       "    function set_focus () {\n",
       "        canvas.focus();\n",
       "        canvas_div.focus();\n",
       "    }\n",
       "\n",
       "    window.setTimeout(set_focus, 100);\n",
       "}\n",
       "\n",
       "mpl.figure.prototype._init_toolbar = function() {\n",
       "    var fig = this;\n",
       "\n",
       "    var nav_element = $('<div/>')\n",
       "    nav_element.attr('style', 'width: 100%');\n",
       "    this.root.append(nav_element);\n",
       "\n",
       "    // Define a callback function for later on.\n",
       "    function toolbar_event(event) {\n",
       "        return fig.toolbar_button_onclick(event['data']);\n",
       "    }\n",
       "    function toolbar_mouse_event(event) {\n",
       "        return fig.toolbar_button_onmouseover(event['data']);\n",
       "    }\n",
       "\n",
       "    for(var toolbar_ind in mpl.toolbar_items) {\n",
       "        var name = mpl.toolbar_items[toolbar_ind][0];\n",
       "        var tooltip = mpl.toolbar_items[toolbar_ind][1];\n",
       "        var image = mpl.toolbar_items[toolbar_ind][2];\n",
       "        var method_name = mpl.toolbar_items[toolbar_ind][3];\n",
       "\n",
       "        if (!name) {\n",
       "            // put a spacer in here.\n",
       "            continue;\n",
       "        }\n",
       "        var button = $('<button/>');\n",
       "        button.addClass('ui-button ui-widget ui-state-default ui-corner-all ' +\n",
       "                        'ui-button-icon-only');\n",
       "        button.attr('role', 'button');\n",
       "        button.attr('aria-disabled', 'false');\n",
       "        button.click(method_name, toolbar_event);\n",
       "        button.mouseover(tooltip, toolbar_mouse_event);\n",
       "\n",
       "        var icon_img = $('<span/>');\n",
       "        icon_img.addClass('ui-button-icon-primary ui-icon');\n",
       "        icon_img.addClass(image);\n",
       "        icon_img.addClass('ui-corner-all');\n",
       "\n",
       "        var tooltip_span = $('<span/>');\n",
       "        tooltip_span.addClass('ui-button-text');\n",
       "        tooltip_span.html(tooltip);\n",
       "\n",
       "        button.append(icon_img);\n",
       "        button.append(tooltip_span);\n",
       "\n",
       "        nav_element.append(button);\n",
       "    }\n",
       "\n",
       "    var fmt_picker_span = $('<span/>');\n",
       "\n",
       "    var fmt_picker = $('<select/>');\n",
       "    fmt_picker.addClass('mpl-toolbar-option ui-widget ui-widget-content');\n",
       "    fmt_picker_span.append(fmt_picker);\n",
       "    nav_element.append(fmt_picker_span);\n",
       "    this.format_dropdown = fmt_picker[0];\n",
       "\n",
       "    for (var ind in mpl.extensions) {\n",
       "        var fmt = mpl.extensions[ind];\n",
       "        var option = $(\n",
       "            '<option/>', {selected: fmt === mpl.default_extension}).html(fmt);\n",
       "        fmt_picker.append(option)\n",
       "    }\n",
       "\n",
       "    // Add hover states to the ui-buttons\n",
       "    $( \".ui-button\" ).hover(\n",
       "        function() { $(this).addClass(\"ui-state-hover\");},\n",
       "        function() { $(this).removeClass(\"ui-state-hover\");}\n",
       "    );\n",
       "\n",
       "    var status_bar = $('<span class=\"mpl-message\"/>');\n",
       "    nav_element.append(status_bar);\n",
       "    this.message = status_bar[0];\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.request_resize = function(x_pixels, y_pixels) {\n",
       "    // Request matplotlib to resize the figure. Matplotlib will then trigger a resize in the client,\n",
       "    // which will in turn request a refresh of the image.\n",
       "    this.send_message('resize', {'width': x_pixels, 'height': y_pixels});\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.send_message = function(type, properties) {\n",
       "    properties['type'] = type;\n",
       "    properties['figure_id'] = this.id;\n",
       "    this.ws.send(JSON.stringify(properties));\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.send_draw_message = function() {\n",
       "    if (!this.waiting) {\n",
       "        this.waiting = true;\n",
       "        this.ws.send(JSON.stringify({type: \"draw\", figure_id: this.id}));\n",
       "    }\n",
       "}\n",
       "\n",
       "\n",
       "mpl.figure.prototype.handle_save = function(fig, msg) {\n",
       "    var format_dropdown = fig.format_dropdown;\n",
       "    var format = format_dropdown.options[format_dropdown.selectedIndex].value;\n",
       "    fig.ondownload(fig, format);\n",
       "}\n",
       "\n",
       "\n",
       "mpl.figure.prototype.handle_resize = function(fig, msg) {\n",
       "    var size = msg['size'];\n",
       "    if (size[0] != fig.canvas.width || size[1] != fig.canvas.height) {\n",
       "        fig._resize_canvas(size[0], size[1]);\n",
       "        fig.send_message(\"refresh\", {});\n",
       "    };\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.handle_rubberband = function(fig, msg) {\n",
       "    var x0 = msg['x0'] / mpl.ratio;\n",
       "    var y0 = (fig.canvas.height - msg['y0']) / mpl.ratio;\n",
       "    var x1 = msg['x1'] / mpl.ratio;\n",
       "    var y1 = (fig.canvas.height - msg['y1']) / mpl.ratio;\n",
       "    x0 = Math.floor(x0) + 0.5;\n",
       "    y0 = Math.floor(y0) + 0.5;\n",
       "    x1 = Math.floor(x1) + 0.5;\n",
       "    y1 = Math.floor(y1) + 0.5;\n",
       "    var min_x = Math.min(x0, x1);\n",
       "    var min_y = Math.min(y0, y1);\n",
       "    var width = Math.abs(x1 - x0);\n",
       "    var height = Math.abs(y1 - y0);\n",
       "\n",
       "    fig.rubberband_context.clearRect(\n",
       "        0, 0, fig.canvas.width, fig.canvas.height);\n",
       "\n",
       "    fig.rubberband_context.strokeRect(min_x, min_y, width, height);\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.handle_figure_label = function(fig, msg) {\n",
       "    // Updates the figure title.\n",
       "    fig.header.textContent = msg['label'];\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.handle_cursor = function(fig, msg) {\n",
       "    var cursor = msg['cursor'];\n",
       "    switch(cursor)\n",
       "    {\n",
       "    case 0:\n",
       "        cursor = 'pointer';\n",
       "        break;\n",
       "    case 1:\n",
       "        cursor = 'default';\n",
       "        break;\n",
       "    case 2:\n",
       "        cursor = 'crosshair';\n",
       "        break;\n",
       "    case 3:\n",
       "        cursor = 'move';\n",
       "        break;\n",
       "    }\n",
       "    fig.rubberband_canvas.style.cursor = cursor;\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.handle_message = function(fig, msg) {\n",
       "    fig.message.textContent = msg['message'];\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.handle_draw = function(fig, msg) {\n",
       "    // Request the server to send over a new figure.\n",
       "    fig.send_draw_message();\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.handle_image_mode = function(fig, msg) {\n",
       "    fig.image_mode = msg['mode'];\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.updated_canvas_event = function() {\n",
       "    // Called whenever the canvas gets updated.\n",
       "    this.send_message(\"ack\", {});\n",
       "}\n",
       "\n",
       "// A function to construct a web socket function for onmessage handling.\n",
       "// Called in the figure constructor.\n",
       "mpl.figure.prototype._make_on_message_function = function(fig) {\n",
       "    return function socket_on_message(evt) {\n",
       "        if (evt.data instanceof Blob) {\n",
       "            /* FIXME: We get \"Resource interpreted as Image but\n",
       "             * transferred with MIME type text/plain:\" errors on\n",
       "             * Chrome.  But how to set the MIME type?  It doesn't seem\n",
       "             * to be part of the websocket stream */\n",
       "            evt.data.type = \"image/png\";\n",
       "\n",
       "            /* Free the memory for the previous frames */\n",
       "            if (fig.imageObj.src) {\n",
       "                (window.URL || window.webkitURL).revokeObjectURL(\n",
       "                    fig.imageObj.src);\n",
       "            }\n",
       "\n",
       "            fig.imageObj.src = (window.URL || window.webkitURL).createObjectURL(\n",
       "                evt.data);\n",
       "            fig.updated_canvas_event();\n",
       "            fig.waiting = false;\n",
       "            return;\n",
       "        }\n",
       "        else if (typeof evt.data === 'string' && evt.data.slice(0, 21) == \"data:image/png;base64\") {\n",
       "            fig.imageObj.src = evt.data;\n",
       "            fig.updated_canvas_event();\n",
       "            fig.waiting = false;\n",
       "            return;\n",
       "        }\n",
       "\n",
       "        var msg = JSON.parse(evt.data);\n",
       "        var msg_type = msg['type'];\n",
       "\n",
       "        // Call the  \"handle_{type}\" callback, which takes\n",
       "        // the figure and JSON message as its only arguments.\n",
       "        try {\n",
       "            var callback = fig[\"handle_\" + msg_type];\n",
       "        } catch (e) {\n",
       "            console.log(\"No handler for the '\" + msg_type + \"' message type: \", msg);\n",
       "            return;\n",
       "        }\n",
       "\n",
       "        if (callback) {\n",
       "            try {\n",
       "                // console.log(\"Handling '\" + msg_type + \"' message: \", msg);\n",
       "                callback(fig, msg);\n",
       "            } catch (e) {\n",
       "                console.log(\"Exception inside the 'handler_\" + msg_type + \"' callback:\", e, e.stack, msg);\n",
       "            }\n",
       "        }\n",
       "    };\n",
       "}\n",
       "\n",
       "// from http://stackoverflow.com/questions/1114465/getting-mouse-location-in-canvas\n",
       "mpl.findpos = function(e) {\n",
       "    //this section is from http://www.quirksmode.org/js/events_properties.html\n",
       "    var targ;\n",
       "    if (!e)\n",
       "        e = window.event;\n",
       "    if (e.target)\n",
       "        targ = e.target;\n",
       "    else if (e.srcElement)\n",
       "        targ = e.srcElement;\n",
       "    if (targ.nodeType == 3) // defeat Safari bug\n",
       "        targ = targ.parentNode;\n",
       "\n",
       "    // jQuery normalizes the pageX and pageY\n",
       "    // pageX,Y are the mouse positions relative to the document\n",
       "    // offset() returns the position of the element relative to the document\n",
       "    var x = e.pageX - $(targ).offset().left;\n",
       "    var y = e.pageY - $(targ).offset().top;\n",
       "\n",
       "    return {\"x\": x, \"y\": y};\n",
       "};\n",
       "\n",
       "/*\n",
       " * return a copy of an object with only non-object keys\n",
       " * we need this to avoid circular references\n",
       " * http://stackoverflow.com/a/24161582/3208463\n",
       " */\n",
       "function simpleKeys (original) {\n",
       "  return Object.keys(original).reduce(function (obj, key) {\n",
       "    if (typeof original[key] !== 'object')\n",
       "        obj[key] = original[key]\n",
       "    return obj;\n",
       "  }, {});\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.mouse_event = function(event, name) {\n",
       "    var canvas_pos = mpl.findpos(event)\n",
       "\n",
       "    if (name === 'button_press')\n",
       "    {\n",
       "        this.canvas.focus();\n",
       "        this.canvas_div.focus();\n",
       "    }\n",
       "\n",
       "    var x = canvas_pos.x * mpl.ratio;\n",
       "    var y = canvas_pos.y * mpl.ratio;\n",
       "\n",
       "    this.send_message(name, {x: x, y: y, button: event.button,\n",
       "                             step: event.step,\n",
       "                             guiEvent: simpleKeys(event)});\n",
       "\n",
       "    /* This prevents the web browser from automatically changing to\n",
       "     * the text insertion cursor when the button is pressed.  We want\n",
       "     * to control all of the cursor setting manually through the\n",
       "     * 'cursor' event from matplotlib */\n",
       "    event.preventDefault();\n",
       "    return false;\n",
       "}\n",
       "\n",
       "mpl.figure.prototype._key_event_extra = function(event, name) {\n",
       "    // Handle any extra behaviour associated with a key event\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.key_event = function(event, name) {\n",
       "\n",
       "    // Prevent repeat events\n",
       "    if (name == 'key_press')\n",
       "    {\n",
       "        if (event.which === this._key)\n",
       "            return;\n",
       "        else\n",
       "            this._key = event.which;\n",
       "    }\n",
       "    if (name == 'key_release')\n",
       "        this._key = null;\n",
       "\n",
       "    var value = '';\n",
       "    if (event.ctrlKey && event.which != 17)\n",
       "        value += \"ctrl+\";\n",
       "    if (event.altKey && event.which != 18)\n",
       "        value += \"alt+\";\n",
       "    if (event.shiftKey && event.which != 16)\n",
       "        value += \"shift+\";\n",
       "\n",
       "    value += 'k';\n",
       "    value += event.which.toString();\n",
       "\n",
       "    this._key_event_extra(event, name);\n",
       "\n",
       "    this.send_message(name, {key: value,\n",
       "                             guiEvent: simpleKeys(event)});\n",
       "    return false;\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.toolbar_button_onclick = function(name) {\n",
       "    if (name == 'download') {\n",
       "        this.handle_save(this, null);\n",
       "    } else {\n",
       "        this.send_message(\"toolbar_button\", {name: name});\n",
       "    }\n",
       "};\n",
       "\n",
       "mpl.figure.prototype.toolbar_button_onmouseover = function(tooltip) {\n",
       "    this.message.textContent = tooltip;\n",
       "};\n",
       "mpl.toolbar_items = [[\"Home\", \"Reset original view\", \"fa fa-home icon-home\", \"home\"], [\"Back\", \"Back to  previous view\", \"fa fa-arrow-left icon-arrow-left\", \"back\"], [\"Forward\", \"Forward to next view\", \"fa fa-arrow-right icon-arrow-right\", \"forward\"], [\"\", \"\", \"\", \"\"], [\"Pan\", \"Pan axes with left mouse, zoom with right\", \"fa fa-arrows icon-move\", \"pan\"], [\"Zoom\", \"Zoom to rectangle\", \"fa fa-square-o icon-check-empty\", \"zoom\"], [\"\", \"\", \"\", \"\"], [\"Download\", \"Download plot\", \"fa fa-floppy-o icon-save\", \"download\"]];\n",
       "\n",
       "mpl.extensions = [\"eps\", \"pdf\", \"png\", \"ps\", \"raw\", \"svg\"];\n",
       "\n",
       "mpl.default_extension = \"png\";var comm_websocket_adapter = function(comm) {\n",
       "    // Create a \"websocket\"-like object which calls the given IPython comm\n",
       "    // object with the appropriate methods. Currently this is a non binary\n",
       "    // socket, so there is still some room for performance tuning.\n",
       "    var ws = {};\n",
       "\n",
       "    ws.close = function() {\n",
       "        comm.close()\n",
       "    };\n",
       "    ws.send = function(m) {\n",
       "        //console.log('sending', m);\n",
       "        comm.send(m);\n",
       "    };\n",
       "    // Register the callback with on_msg.\n",
       "    comm.on_msg(function(msg) {\n",
       "        //console.log('receiving', msg['content']['data'], msg);\n",
       "        // Pass the mpl event to the overriden (by mpl) onmessage function.\n",
       "        ws.onmessage(msg['content']['data'])\n",
       "    });\n",
       "    return ws;\n",
       "}\n",
       "\n",
       "mpl.mpl_figure_comm = function(comm, msg) {\n",
       "    // This is the function which gets called when the mpl process\n",
       "    // starts-up an IPython Comm through the \"matplotlib\" channel.\n",
       "\n",
       "    var id = msg.content.data.id;\n",
       "    // Get hold of the div created by the display call when the Comm\n",
       "    // socket was opened in Python.\n",
       "    var element = $(\"#\" + id);\n",
       "    var ws_proxy = comm_websocket_adapter(comm)\n",
       "\n",
       "    function ondownload(figure, format) {\n",
       "        window.open(figure.imageObj.src);\n",
       "    }\n",
       "\n",
       "    var fig = new mpl.figure(id, ws_proxy,\n",
       "                           ondownload,\n",
       "                           element.get(0));\n",
       "\n",
       "    // Call onopen now - mpl needs it, as it is assuming we've passed it a real\n",
       "    // web socket which is closed, not our websocket->open comm proxy.\n",
       "    ws_proxy.onopen();\n",
       "\n",
       "    fig.parent_element = element.get(0);\n",
       "    fig.cell_info = mpl.find_output_cell(\"<div id='\" + id + \"'></div>\");\n",
       "    if (!fig.cell_info) {\n",
       "        console.error(\"Failed to find cell for figure\", id, fig);\n",
       "        return;\n",
       "    }\n",
       "\n",
       "    var output_index = fig.cell_info[2]\n",
       "    var cell = fig.cell_info[0];\n",
       "\n",
       "};\n",
       "\n",
       "mpl.figure.prototype.handle_close = function(fig, msg) {\n",
       "    var width = fig.canvas.width/mpl.ratio\n",
       "    fig.root.unbind('remove')\n",
       "\n",
       "    // Update the output cell to use the data from the current canvas.\n",
       "    fig.push_to_output();\n",
       "    var dataURL = fig.canvas.toDataURL();\n",
       "    // Re-enable the keyboard manager in IPython - without this line, in FF,\n",
       "    // the notebook keyboard shortcuts fail.\n",
       "    IPython.keyboard_manager.enable()\n",
       "    $(fig.parent_element).html('<img src=\"' + dataURL + '\" width=\"' + width + '\">');\n",
       "    fig.close_ws(fig, msg);\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.close_ws = function(fig, msg){\n",
       "    fig.send_message('closing', msg);\n",
       "    // fig.ws.close()\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.push_to_output = function(remove_interactive) {\n",
       "    // Turn the data on the canvas into data in the output cell.\n",
       "    var width = this.canvas.width/mpl.ratio\n",
       "    var dataURL = this.canvas.toDataURL();\n",
       "    this.cell_info[1]['text/html'] = '<img src=\"' + dataURL + '\" width=\"' + width + '\">';\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.updated_canvas_event = function() {\n",
       "    // Tell IPython that the notebook contents must change.\n",
       "    IPython.notebook.set_dirty(true);\n",
       "    this.send_message(\"ack\", {});\n",
       "    var fig = this;\n",
       "    // Wait a second, then push the new image to the DOM so\n",
       "    // that it is saved nicely (might be nice to debounce this).\n",
       "    setTimeout(function () { fig.push_to_output() }, 1000);\n",
       "}\n",
       "\n",
       "mpl.figure.prototype._init_toolbar = function() {\n",
       "    var fig = this;\n",
       "\n",
       "    var nav_element = $('<div/>')\n",
       "    nav_element.attr('style', 'width: 100%');\n",
       "    this.root.append(nav_element);\n",
       "\n",
       "    // Define a callback function for later on.\n",
       "    function toolbar_event(event) {\n",
       "        return fig.toolbar_button_onclick(event['data']);\n",
       "    }\n",
       "    function toolbar_mouse_event(event) {\n",
       "        return fig.toolbar_button_onmouseover(event['data']);\n",
       "    }\n",
       "\n",
       "    for(var toolbar_ind in mpl.toolbar_items){\n",
       "        var name = mpl.toolbar_items[toolbar_ind][0];\n",
       "        var tooltip = mpl.toolbar_items[toolbar_ind][1];\n",
       "        var image = mpl.toolbar_items[toolbar_ind][2];\n",
       "        var method_name = mpl.toolbar_items[toolbar_ind][3];\n",
       "\n",
       "        if (!name) { continue; };\n",
       "\n",
       "        var button = $('<button class=\"btn btn-default\" href=\"#\" title=\"' + name + '\"><i class=\"fa ' + image + ' fa-lg\"></i></button>');\n",
       "        button.click(method_name, toolbar_event);\n",
       "        button.mouseover(tooltip, toolbar_mouse_event);\n",
       "        nav_element.append(button);\n",
       "    }\n",
       "\n",
       "    // Add the status bar.\n",
       "    var status_bar = $('<span class=\"mpl-message\" style=\"text-align:right; float: right;\"/>');\n",
       "    nav_element.append(status_bar);\n",
       "    this.message = status_bar[0];\n",
       "\n",
       "    // Add the close button to the window.\n",
       "    var buttongrp = $('<div class=\"btn-group inline pull-right\"></div>');\n",
       "    var button = $('<button class=\"btn btn-mini btn-primary\" href=\"#\" title=\"Stop Interaction\"><i class=\"fa fa-power-off icon-remove icon-large\"></i></button>');\n",
       "    button.click(function (evt) { fig.handle_close(fig, {}); } );\n",
       "    button.mouseover('Stop Interaction', toolbar_mouse_event);\n",
       "    buttongrp.append(button);\n",
       "    var titlebar = this.root.find($('.ui-dialog-titlebar'));\n",
       "    titlebar.prepend(buttongrp);\n",
       "}\n",
       "\n",
       "mpl.figure.prototype._root_extra_style = function(el){\n",
       "    var fig = this\n",
       "    el.on(\"remove\", function(){\n",
       "\tfig.close_ws(fig, {});\n",
       "    });\n",
       "}\n",
       "\n",
       "mpl.figure.prototype._canvas_extra_style = function(el){\n",
       "    // this is important to make the div 'focusable\n",
       "    el.attr('tabindex', 0)\n",
       "    // reach out to IPython and tell the keyboard manager to turn it's self\n",
       "    // off when our div gets focus\n",
       "\n",
       "    // location in version 3\n",
       "    if (IPython.notebook.keyboard_manager) {\n",
       "        IPython.notebook.keyboard_manager.register_events(el);\n",
       "    }\n",
       "    else {\n",
       "        // location in version 2\n",
       "        IPython.keyboard_manager.register_events(el);\n",
       "    }\n",
       "\n",
       "}\n",
       "\n",
       "mpl.figure.prototype._key_event_extra = function(event, name) {\n",
       "    var manager = IPython.notebook.keyboard_manager;\n",
       "    if (!manager)\n",
       "        manager = IPython.keyboard_manager;\n",
       "\n",
       "    // Check for shift+enter\n",
       "    if (event.shiftKey && event.which == 13) {\n",
       "        this.canvas_div.blur();\n",
       "        // select the cell after this one\n",
       "        var index = IPython.notebook.find_cell_index(this.cell_info[0]);\n",
       "        IPython.notebook.select(index + 1);\n",
       "    }\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.handle_save = function(fig, msg) {\n",
       "    fig.ondownload(fig, null);\n",
       "}\n",
       "\n",
       "\n",
       "mpl.find_output_cell = function(html_output) {\n",
       "    // Return the cell and output element which can be found *uniquely* in the notebook.\n",
       "    // Note - this is a bit hacky, but it is done because the \"notebook_saving.Notebook\"\n",
       "    // IPython event is triggered only after the cells have been serialised, which for\n",
       "    // our purposes (turning an active figure into a static one), is too late.\n",
       "    var cells = IPython.notebook.get_cells();\n",
       "    var ncells = cells.length;\n",
       "    for (var i=0; i<ncells; i++) {\n",
       "        var cell = cells[i];\n",
       "        if (cell.cell_type === 'code'){\n",
       "            for (var j=0; j<cell.output_area.outputs.length; j++) {\n",
       "                var data = cell.output_area.outputs[j];\n",
       "                if (data.data) {\n",
       "                    // IPython >= 3 moved mimebundle to data attribute of output\n",
       "                    data = data.data;\n",
       "                }\n",
       "                if (data['text/html'] == html_output) {\n",
       "                    return [cell, data, j];\n",
       "                }\n",
       "            }\n",
       "        }\n",
       "    }\n",
       "}\n",
       "\n",
       "// Register the function which deals with the matplotlib target/channel.\n",
       "// The kernel may be null if the page has been refreshed.\n",
       "if (IPython.notebook.kernel != null) {\n",
       "    IPython.notebook.kernel.comm_manager.register_target('matplotlib', mpl.mpl_figure_comm);\n",
       "}\n"
      ],
      "text/plain": [
       "<IPython.core.display.Javascript object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "text/html": [
       "<img src=\"data:image/png;base64,[encoded data, 31556 characters]\" width=\"639.8333333333334\">"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "plt.figure()\n",
    "plt.plot(100*X_Li_ca, E_cell_kin, color='b', linewidth=2.5)\n",
    "plt.ylim([2.5, 4.3])\n",
    "plt.xlabel('Li Fraction in Cathode (%)', fontname='Times New Roman', fontsize=18)\n",
    "plt.ylabel('Open Circuit Potential (V)', fontname='Times New Roman', fontsize=18)\n",
    "\n",
    "ax = plt.gca()\n",
    "\n",
    "for tick in ax.xaxis.get_major_ticks():\n",
    "    tick.label1.set_fontsize(14)\n",
    "    tick.label1.set_fontname('Times New Roman')\n",
    "for tick in ax.yaxis.get_major_ticks():\n",
    "    tick.label1.set_fontsize(14)\n",
    "    tick.label1.set_fontname('Times New Roman')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Thermodynamic Equilibrium Calculation\n",
    "For the $i_{app} = 0$ case, we can also calcualte the voltage using thermodynamics.  At equilibrium, the net electrochemical potential change of the reaction must be zero:\n",
    "\n",
    "\\begin{equation}\n",
    "\\sum_k\\nu_k\\tilde{\\mu}_k = 0\n",
    "\\end{equation}\n",
    "\n",
    "where $\\tilde{\\mu}_k = \\mu_k + z_kF\\Phi_k$, where, in turn $\\mu_k = \\frac{\\partial g_k}{\\partial n_k}$ is the chemical potential, $\\nu_k$ the net stoichiometric coefficient, $z_k$ the net elementary charge, and $\\Phi_k$ the phase electric potential for species $k$.\n",
    "\n",
    "From this, we can calculate the equilibrium electric potential difference $\\Delta \\Phi_{\\rm eq} = \\left(\\Phi_{\\rm elde} - \\Phi_{\\rm elyte}\\right)_{\\rm eq}$ as:\n",
    "\n",
    "\\begin{equation}\n",
    "\\Delta \\Phi_{\\rm eq} = -\\frac{\\Delta g_{\\rm rxn}}{n_{\\rm charge}F}\n",
    "\\end{equation}\n",
    "\n",
    "where $\\Delta g_{\\rm rxn} = \\sum_k \\nu_k\\mu_k$ is the chemical potential of the reaction and and $n_{\\rm charge} = \\sum_{k,\\,{\\rm elde}} \\nu_k z_k$ is the net elementary charge transferred from the electrolyte to the electrode."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "49 cell voltages calculated in 0.03 seconds.\n"
     ]
    }
   ],
   "source": [
    "# Tic\n",
    "t0 = time.time()\n",
    "\n",
    "# Initialize array of OCVs:\n",
    "E_cell_therm = np.zeros_like(X_Li_ca)\n",
    "\n",
    "for i, X_an in enumerate(X_Li_an):\n",
    "    #Set anode electrode potential to 0:\n",
    "    anode.X = 'Li[anode]:' + str(X_an) + ', V[anode]:' + str(1 - X_an)\n",
    "    dG_an = anode_interface.delta_gibbs[0]\n",
    "    n_charge = -1.\n",
    "    E_eq_an = -dG_an/n_charge/ct.faraday\n",
    "    \n",
    "    cathode.X = 'Li[cathode]:' + str(1. - X_an) + ', V[cathode]:' + str(X_an)\n",
    "    dG_ca = cathode_interface.delta_gibbs[0]\n",
    "    n_charge = 1.\n",
    "    E_eq_ca = -dG_ca/n_charge/ct.faraday\n",
    "    \n",
    "    E_cell_therm[i] = E_eq_ca - E_eq_an\n",
    "    \n",
    "# Toc\n",
    "t1 = time.time()\n",
    "print('{:d} cell voltages calculated in {:3.2f} seconds.'.format(i, t1 - t0))"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "### Plot thermodynamic OCV, and compare to results from kinetic method"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "metadata": {
    "scrolled": false
   },
   "outputs": [
    {
     "data": {
      "application/javascript": [
       "/* Put everything inside the global mpl namespace */\n",
       "window.mpl = {};\n",
       "\n",
       "\n",
       "mpl.get_websocket_type = function() {\n",
       "    if (typeof(WebSocket) !== 'undefined') {\n",
       "        return WebSocket;\n",
       "    } else if (typeof(MozWebSocket) !== 'undefined') {\n",
       "        return MozWebSocket;\n",
       "    } else {\n",
       "        alert('Your browser does not have WebSocket support.' +\n",
       "              'Please try Chrome, Safari or Firefox ≥ 6. ' +\n",
       "              'Firefox 4 and 5 are also supported but you ' +\n",
       "              'have to enable WebSockets in about:config.');\n",
       "    };\n",
       "}\n",
       "\n",
       "mpl.figure = function(figure_id, websocket, ondownload, parent_element) {\n",
       "    this.id = figure_id;\n",
       "\n",
       "    this.ws = websocket;\n",
       "\n",
       "    this.supports_binary = (this.ws.binaryType != undefined);\n",
       "\n",
       "    if (!this.supports_binary) {\n",
       "        var warnings = document.getElementById(\"mpl-warnings\");\n",
       "        if (warnings) {\n",
       "            warnings.style.display = 'block';\n",
       "            warnings.textContent = (\n",
       "                \"This browser does not support binary websocket messages. \" +\n",
       "                    \"Performance may be slow.\");\n",
       "        }\n",
       "    }\n",
       "\n",
       "    this.imageObj = new Image();\n",
       "\n",
       "    this.context = undefined;\n",
       "    this.message = undefined;\n",
       "    this.canvas = undefined;\n",
       "    this.rubberband_canvas = undefined;\n",
       "    this.rubberband_context = undefined;\n",
       "    this.format_dropdown = undefined;\n",
       "\n",
       "    this.image_mode = 'full';\n",
       "\n",
       "    this.root = $('<div/>');\n",
       "    this._root_extra_style(this.root)\n",
       "    this.root.attr('style', 'display: inline-block');\n",
       "\n",
       "    $(parent_element).append(this.root);\n",
       "\n",
       "    this._init_header(this);\n",
       "    this._init_canvas(this);\n",
       "    this._init_toolbar(this);\n",
       "\n",
       "    var fig = this;\n",
       "\n",
       "    this.waiting = false;\n",
       "\n",
       "    this.ws.onopen =  function () {\n",
       "            fig.send_message(\"supports_binary\", {value: fig.supports_binary});\n",
       "            fig.send_message(\"send_image_mode\", {});\n",
       "            if (mpl.ratio != 1) {\n",
       "                fig.send_message(\"set_dpi_ratio\", {'dpi_ratio': mpl.ratio});\n",
       "            }\n",
       "            fig.send_message(\"refresh\", {});\n",
       "        }\n",
       "\n",
       "    this.imageObj.onload = function() {\n",
       "            if (fig.image_mode == 'full') {\n",
       "                // Full images could contain transparency (where diff images\n",
       "                // almost always do), so we need to clear the canvas so that\n",
       "                // there is no ghosting.\n",
       "                fig.context.clearRect(0, 0, fig.canvas.width, fig.canvas.height);\n",
       "            }\n",
       "            fig.context.drawImage(fig.imageObj, 0, 0);\n",
       "        };\n",
       "\n",
       "    this.imageObj.onunload = function() {\n",
       "        this.ws.close();\n",
       "    }\n",
       "\n",
       "    this.ws.onmessage = this._make_on_message_function(this);\n",
       "\n",
       "    this.ondownload = ondownload;\n",
       "}\n",
       "\n",
       "mpl.figure.prototype._init_header = function() {\n",
       "    var titlebar = $(\n",
       "        '<div class=\"ui-dialog-titlebar ui-widget-header ui-corner-all ' +\n",
       "        'ui-helper-clearfix\"/>');\n",
       "    var titletext = $(\n",
       "        '<div class=\"ui-dialog-title\" style=\"width: 100%; ' +\n",
       "        'text-align: center; padding: 3px;\"/>');\n",
       "    titlebar.append(titletext)\n",
       "    this.root.append(titlebar);\n",
       "    this.header = titletext[0];\n",
       "}\n",
       "\n",
       "\n",
       "\n",
       "mpl.figure.prototype._canvas_extra_style = function(canvas_div) {\n",
       "\n",
       "}\n",
       "\n",
       "\n",
       "mpl.figure.prototype._root_extra_style = function(canvas_div) {\n",
       "\n",
       "}\n",
       "\n",
       "mpl.figure.prototype._init_canvas = function() {\n",
       "    var fig = this;\n",
       "\n",
       "    var canvas_div = $('<div/>');\n",
       "\n",
       "    canvas_div.attr('style', 'position: relative; clear: both; outline: 0');\n",
       "\n",
       "    function canvas_keyboard_event(event) {\n",
       "        return fig.key_event(event, event['data']);\n",
       "    }\n",
       "\n",
       "    canvas_div.keydown('key_press', canvas_keyboard_event);\n",
       "    canvas_div.keyup('key_release', canvas_keyboard_event);\n",
       "    this.canvas_div = canvas_div\n",
       "    this._canvas_extra_style(canvas_div)\n",
       "    this.root.append(canvas_div);\n",
       "\n",
       "    var canvas = $('<canvas/>');\n",
       "    canvas.addClass('mpl-canvas');\n",
       "    canvas.attr('style', \"left: 0; top: 0; z-index: 0; outline: 0\")\n",
       "\n",
       "    this.canvas = canvas[0];\n",
       "    this.context = canvas[0].getContext(\"2d\");\n",
       "\n",
       "    var backingStore = this.context.backingStorePixelRatio ||\n",
       "\tthis.context.webkitBackingStorePixelRatio ||\n",
       "\tthis.context.mozBackingStorePixelRatio ||\n",
       "\tthis.context.msBackingStorePixelRatio ||\n",
       "\tthis.context.oBackingStorePixelRatio ||\n",
       "\tthis.context.backingStorePixelRatio || 1;\n",
       "\n",
       "    mpl.ratio = (window.devicePixelRatio || 1) / backingStore;\n",
       "\n",
       "    var rubberband = $('<canvas/>');\n",
       "    rubberband.attr('style', \"position: absolute; left: 0; top: 0; z-index: 1;\")\n",
       "\n",
       "    var pass_mouse_events = true;\n",
       "\n",
       "    canvas_div.resizable({\n",
       "        start: function(event, ui) {\n",
       "            pass_mouse_events = false;\n",
       "        },\n",
       "        resize: function(event, ui) {\n",
       "            fig.request_resize(ui.size.width, ui.size.height);\n",
       "        },\n",
       "        stop: function(event, ui) {\n",
       "            pass_mouse_events = true;\n",
       "            fig.request_resize(ui.size.width, ui.size.height);\n",
       "        },\n",
       "    });\n",
       "\n",
       "    function mouse_event_fn(event) {\n",
       "        if (pass_mouse_events)\n",
       "            return fig.mouse_event(event, event['data']);\n",
       "    }\n",
       "\n",
       "    rubberband.mousedown('button_press', mouse_event_fn);\n",
       "    rubberband.mouseup('button_release', mouse_event_fn);\n",
       "    // Throttle sequential mouse events to 1 every 20ms.\n",
       "    rubberband.mousemove('motion_notify', mouse_event_fn);\n",
       "\n",
       "    rubberband.mouseenter('figure_enter', mouse_event_fn);\n",
       "    rubberband.mouseleave('figure_leave', mouse_event_fn);\n",
       "\n",
       "    canvas_div.on(\"wheel\", function (event) {\n",
       "        event = event.originalEvent;\n",
       "        event['data'] = 'scroll'\n",
       "        if (event.deltaY < 0) {\n",
       "            event.step = 1;\n",
       "        } else {\n",
       "            event.step = -1;\n",
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       "        mouse_event_fn(event);\n",
       "    });\n",
       "\n",
       "    canvas_div.append(canvas);\n",
       "    canvas_div.append(rubberband);\n",
       "\n",
       "    this.rubberband = rubberband;\n",
       "    this.rubberband_canvas = rubberband[0];\n",
       "    this.rubberband_context = rubberband[0].getContext(\"2d\");\n",
       "    this.rubberband_context.strokeStyle = \"#000000\";\n",
       "\n",
       "    this._resize_canvas = function(width, height) {\n",
       "        // Keep the size of the canvas, canvas container, and rubber band\n",
       "        // canvas in synch.\n",
       "        canvas_div.css('width', width)\n",
       "        canvas_div.css('height', height)\n",
       "\n",
       "        canvas.attr('width', width * mpl.ratio);\n",
       "        canvas.attr('height', height * mpl.ratio);\n",
       "        canvas.attr('style', 'width: ' + width + 'px; height: ' + height + 'px;');\n",
       "\n",
       "        rubberband.attr('width', width);\n",
       "        rubberband.attr('height', height);\n",
       "    }\n",
       "\n",
       "    // Set the figure to an initial 600x600px, this will subsequently be updated\n",
       "    // upon first draw.\n",
       "    this._resize_canvas(600, 600);\n",
       "\n",
       "    // Disable right mouse context menu.\n",
       "    $(this.rubberband_canvas).bind(\"contextmenu\",function(e){\n",
       "        return false;\n",
       "    });\n",
       "\n",
       "    function set_focus () {\n",
       "        canvas.focus();\n",
       "        canvas_div.focus();\n",
       "    }\n",
       "\n",
       "    window.setTimeout(set_focus, 100);\n",
       "}\n",
       "\n",
       "mpl.figure.prototype._init_toolbar = function() {\n",
       "    var fig = this;\n",
       "\n",
       "    var nav_element = $('<div/>')\n",
       "    nav_element.attr('style', 'width: 100%');\n",
       "    this.root.append(nav_element);\n",
       "\n",
       "    // Define a callback function for later on.\n",
       "    function toolbar_event(event) {\n",
       "        return fig.toolbar_button_onclick(event['data']);\n",
       "    }\n",
       "    function toolbar_mouse_event(event) {\n",
       "        return fig.toolbar_button_onmouseover(event['data']);\n",
       "    }\n",
       "\n",
       "    for(var toolbar_ind in mpl.toolbar_items) {\n",
       "        var name = mpl.toolbar_items[toolbar_ind][0];\n",
       "        var tooltip = mpl.toolbar_items[toolbar_ind][1];\n",
       "        var image = mpl.toolbar_items[toolbar_ind][2];\n",
       "        var method_name = mpl.toolbar_items[toolbar_ind][3];\n",
       "\n",
       "        if (!name) {\n",
       "            // put a spacer in here.\n",
       "            continue;\n",
       "        }\n",
       "        var button = $('<button/>');\n",
       "        button.addClass('ui-button ui-widget ui-state-default ui-corner-all ' +\n",
       "                        'ui-button-icon-only');\n",
       "        button.attr('role', 'button');\n",
       "        button.attr('aria-disabled', 'false');\n",
       "        button.click(method_name, toolbar_event);\n",
       "        button.mouseover(tooltip, toolbar_mouse_event);\n",
       "\n",
       "        var icon_img = $('<span/>');\n",
       "        icon_img.addClass('ui-button-icon-primary ui-icon');\n",
       "        icon_img.addClass(image);\n",
       "        icon_img.addClass('ui-corner-all');\n",
       "\n",
       "        var tooltip_span = $('<span/>');\n",
       "        tooltip_span.addClass('ui-button-text');\n",
       "        tooltip_span.html(tooltip);\n",
       "\n",
       "        button.append(icon_img);\n",
       "        button.append(tooltip_span);\n",
       "\n",
       "        nav_element.append(button);\n",
       "    }\n",
       "\n",
       "    var fmt_picker_span = $('<span/>');\n",
       "\n",
       "    var fmt_picker = $('<select/>');\n",
       "    fmt_picker.addClass('mpl-toolbar-option ui-widget ui-widget-content');\n",
       "    fmt_picker_span.append(fmt_picker);\n",
       "    nav_element.append(fmt_picker_span);\n",
       "    this.format_dropdown = fmt_picker[0];\n",
       "\n",
       "    for (var ind in mpl.extensions) {\n",
       "        var fmt = mpl.extensions[ind];\n",
       "        var option = $(\n",
       "            '<option/>', {selected: fmt === mpl.default_extension}).html(fmt);\n",
       "        fmt_picker.append(option)\n",
       "    }\n",
       "\n",
       "    // Add hover states to the ui-buttons\n",
       "    $( \".ui-button\" ).hover(\n",
       "        function() { $(this).addClass(\"ui-state-hover\");},\n",
       "        function() { $(this).removeClass(\"ui-state-hover\");}\n",
       "    );\n",
       "\n",
       "    var status_bar = $('<span class=\"mpl-message\"/>');\n",
       "    nav_element.append(status_bar);\n",
       "    this.message = status_bar[0];\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.request_resize = function(x_pixels, y_pixels) {\n",
       "    // Request matplotlib to resize the figure. Matplotlib will then trigger a resize in the client,\n",
       "    // which will in turn request a refresh of the image.\n",
       "    this.send_message('resize', {'width': x_pixels, 'height': y_pixels});\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.send_message = function(type, properties) {\n",
       "    properties['type'] = type;\n",
       "    properties['figure_id'] = this.id;\n",
       "    this.ws.send(JSON.stringify(properties));\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.send_draw_message = function() {\n",
       "    if (!this.waiting) {\n",
       "        this.waiting = true;\n",
       "        this.ws.send(JSON.stringify({type: \"draw\", figure_id: this.id}));\n",
       "    }\n",
       "}\n",
       "\n",
       "\n",
       "mpl.figure.prototype.handle_save = function(fig, msg) {\n",
       "    var format_dropdown = fig.format_dropdown;\n",
       "    var format = format_dropdown.options[format_dropdown.selectedIndex].value;\n",
       "    fig.ondownload(fig, format);\n",
       "}\n",
       "\n",
       "\n",
       "mpl.figure.prototype.handle_resize = function(fig, msg) {\n",
       "    var size = msg['size'];\n",
       "    if (size[0] != fig.canvas.width || size[1] != fig.canvas.height) {\n",
       "        fig._resize_canvas(size[0], size[1]);\n",
       "        fig.send_message(\"refresh\", {});\n",
       "    };\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.handle_rubberband = function(fig, msg) {\n",
       "    var x0 = msg['x0'] / mpl.ratio;\n",
       "    var y0 = (fig.canvas.height - msg['y0']) / mpl.ratio;\n",
       "    var x1 = msg['x1'] / mpl.ratio;\n",
       "    var y1 = (fig.canvas.height - msg['y1']) / mpl.ratio;\n",
       "    x0 = Math.floor(x0) + 0.5;\n",
       "    y0 = Math.floor(y0) + 0.5;\n",
       "    x1 = Math.floor(x1) + 0.5;\n",
       "    y1 = Math.floor(y1) + 0.5;\n",
       "    var min_x = Math.min(x0, x1);\n",
       "    var min_y = Math.min(y0, y1);\n",
       "    var width = Math.abs(x1 - x0);\n",
       "    var height = Math.abs(y1 - y0);\n",
       "\n",
       "    fig.rubberband_context.clearRect(\n",
       "        0, 0, fig.canvas.width, fig.canvas.height);\n",
       "\n",
       "    fig.rubberband_context.strokeRect(min_x, min_y, width, height);\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.handle_figure_label = function(fig, msg) {\n",
       "    // Updates the figure title.\n",
       "    fig.header.textContent = msg['label'];\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.handle_cursor = function(fig, msg) {\n",
       "    var cursor = msg['cursor'];\n",
       "    switch(cursor)\n",
       "    {\n",
       "    case 0:\n",
       "        cursor = 'pointer';\n",
       "        break;\n",
       "    case 1:\n",
       "        cursor = 'default';\n",
       "        break;\n",
       "    case 2:\n",
       "        cursor = 'crosshair';\n",
       "        break;\n",
       "    case 3:\n",
       "        cursor = 'move';\n",
       "        break;\n",
       "    }\n",
       "    fig.rubberband_canvas.style.cursor = cursor;\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.handle_message = function(fig, msg) {\n",
       "    fig.message.textContent = msg['message'];\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.handle_draw = function(fig, msg) {\n",
       "    // Request the server to send over a new figure.\n",
       "    fig.send_draw_message();\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.handle_image_mode = function(fig, msg) {\n",
       "    fig.image_mode = msg['mode'];\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.updated_canvas_event = function() {\n",
       "    // Called whenever the canvas gets updated.\n",
       "    this.send_message(\"ack\", {});\n",
       "}\n",
       "\n",
       "// A function to construct a web socket function for onmessage handling.\n",
       "// Called in the figure constructor.\n",
       "mpl.figure.prototype._make_on_message_function = function(fig) {\n",
       "    return function socket_on_message(evt) {\n",
       "        if (evt.data instanceof Blob) {\n",
       "            /* FIXME: We get \"Resource interpreted as Image but\n",
       "             * transferred with MIME type text/plain:\" errors on\n",
       "             * Chrome.  But how to set the MIME type?  It doesn't seem\n",
       "             * to be part of the websocket stream */\n",
       "            evt.data.type = \"image/png\";\n",
       "\n",
       "            /* Free the memory for the previous frames */\n",
       "            if (fig.imageObj.src) {\n",
       "                (window.URL || window.webkitURL).revokeObjectURL(\n",
       "                    fig.imageObj.src);\n",
       "            }\n",
       "\n",
       "            fig.imageObj.src = (window.URL || window.webkitURL).createObjectURL(\n",
       "                evt.data);\n",
       "            fig.updated_canvas_event();\n",
       "            fig.waiting = false;\n",
       "            return;\n",
       "        }\n",
       "        else if (typeof evt.data === 'string' && evt.data.slice(0, 21) == \"data:image/png;base64\") {\n",
       "            fig.imageObj.src = evt.data;\n",
       "            fig.updated_canvas_event();\n",
       "            fig.waiting = false;\n",
       "            return;\n",
       "        }\n",
       "\n",
       "        var msg = JSON.parse(evt.data);\n",
       "        var msg_type = msg['type'];\n",
       "\n",
       "        // Call the  \"handle_{type}\" callback, which takes\n",
       "        // the figure and JSON message as its only arguments.\n",
       "        try {\n",
       "            var callback = fig[\"handle_\" + msg_type];\n",
       "        } catch (e) {\n",
       "            console.log(\"No handler for the '\" + msg_type + \"' message type: \", msg);\n",
       "            return;\n",
       "        }\n",
       "\n",
       "        if (callback) {\n",
       "            try {\n",
       "                // console.log(\"Handling '\" + msg_type + \"' message: \", msg);\n",
       "                callback(fig, msg);\n",
       "            } catch (e) {\n",
       "                console.log(\"Exception inside the 'handler_\" + msg_type + \"' callback:\", e, e.stack, msg);\n",
       "            }\n",
       "        }\n",
       "    };\n",
       "}\n",
       "\n",
       "// from http://stackoverflow.com/questions/1114465/getting-mouse-location-in-canvas\n",
       "mpl.findpos = function(e) {\n",
       "    //this section is from http://www.quirksmode.org/js/events_properties.html\n",
       "    var targ;\n",
       "    if (!e)\n",
       "        e = window.event;\n",
       "    if (e.target)\n",
       "        targ = e.target;\n",
       "    else if (e.srcElement)\n",
       "        targ = e.srcElement;\n",
       "    if (targ.nodeType == 3) // defeat Safari bug\n",
       "        targ = targ.parentNode;\n",
       "\n",
       "    // jQuery normalizes the pageX and pageY\n",
       "    // pageX,Y are the mouse positions relative to the document\n",
       "    // offset() returns the position of the element relative to the document\n",
       "    var x = e.pageX - $(targ).offset().left;\n",
       "    var y = e.pageY - $(targ).offset().top;\n",
       "\n",
       "    return {\"x\": x, \"y\": y};\n",
       "};\n",
       "\n",
       "/*\n",
       " * return a copy of an object with only non-object keys\n",
       " * we need this to avoid circular references\n",
       " * http://stackoverflow.com/a/24161582/3208463\n",
       " */\n",
       "function simpleKeys (original) {\n",
       "  return Object.keys(original).reduce(function (obj, key) {\n",
       "    if (typeof original[key] !== 'object')\n",
       "        obj[key] = original[key]\n",
       "    return obj;\n",
       "  }, {});\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.mouse_event = function(event, name) {\n",
       "    var canvas_pos = mpl.findpos(event)\n",
       "\n",
       "    if (name === 'button_press')\n",
       "    {\n",
       "        this.canvas.focus();\n",
       "        this.canvas_div.focus();\n",
       "    }\n",
       "\n",
       "    var x = canvas_pos.x * mpl.ratio;\n",
       "    var y = canvas_pos.y * mpl.ratio;\n",
       "\n",
       "    this.send_message(name, {x: x, y: y, button: event.button,\n",
       "                             step: event.step,\n",
       "                             guiEvent: simpleKeys(event)});\n",
       "\n",
       "    /* This prevents the web browser from automatically changing to\n",
       "     * the text insertion cursor when the button is pressed.  We want\n",
       "     * to control all of the cursor setting manually through the\n",
       "     * 'cursor' event from matplotlib */\n",
       "    event.preventDefault();\n",
       "    return false;\n",
       "}\n",
       "\n",
       "mpl.figure.prototype._key_event_extra = function(event, name) {\n",
       "    // Handle any extra behaviour associated with a key event\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.key_event = function(event, name) {\n",
       "\n",
       "    // Prevent repeat events\n",
       "    if (name == 'key_press')\n",
       "    {\n",
       "        if (event.which === this._key)\n",
       "            return;\n",
       "        else\n",
       "            this._key = event.which;\n",
       "    }\n",
       "    if (name == 'key_release')\n",
       "        this._key = null;\n",
       "\n",
       "    var value = '';\n",
       "    if (event.ctrlKey && event.which != 17)\n",
       "        value += \"ctrl+\";\n",
       "    if (event.altKey && event.which != 18)\n",
       "        value += \"alt+\";\n",
       "    if (event.shiftKey && event.which != 16)\n",
       "        value += \"shift+\";\n",
       "\n",
       "    value += 'k';\n",
       "    value += event.which.toString();\n",
       "\n",
       "    this._key_event_extra(event, name);\n",
       "\n",
       "    this.send_message(name, {key: value,\n",
       "                             guiEvent: simpleKeys(event)});\n",
       "    return false;\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.toolbar_button_onclick = function(name) {\n",
       "    if (name == 'download') {\n",
       "        this.handle_save(this, null);\n",
       "    } else {\n",
       "        this.send_message(\"toolbar_button\", {name: name});\n",
       "    }\n",
       "};\n",
       "\n",
       "mpl.figure.prototype.toolbar_button_onmouseover = function(tooltip) {\n",
       "    this.message.textContent = tooltip;\n",
       "};\n",
       "mpl.toolbar_items = [[\"Home\", \"Reset original view\", \"fa fa-home icon-home\", \"home\"], [\"Back\", \"Back to  previous view\", \"fa fa-arrow-left icon-arrow-left\", \"back\"], [\"Forward\", \"Forward to next view\", \"fa fa-arrow-right icon-arrow-right\", \"forward\"], [\"\", \"\", \"\", \"\"], [\"Pan\", \"Pan axes with left mouse, zoom with right\", \"fa fa-arrows icon-move\", \"pan\"], [\"Zoom\", \"Zoom to rectangle\", \"fa fa-square-o icon-check-empty\", \"zoom\"], [\"\", \"\", \"\", \"\"], [\"Download\", \"Download plot\", \"fa fa-floppy-o icon-save\", \"download\"]];\n",
       "\n",
       "mpl.extensions = [\"eps\", \"pdf\", \"png\", \"ps\", \"raw\", \"svg\"];\n",
       "\n",
       "mpl.default_extension = \"png\";var comm_websocket_adapter = function(comm) {\n",
       "    // Create a \"websocket\"-like object which calls the given IPython comm\n",
       "    // object with the appropriate methods. Currently this is a non binary\n",
       "    // socket, so there is still some room for performance tuning.\n",
       "    var ws = {};\n",
       "\n",
       "    ws.close = function() {\n",
       "        comm.close()\n",
       "    };\n",
       "    ws.send = function(m) {\n",
       "        //console.log('sending', m);\n",
       "        comm.send(m);\n",
       "    };\n",
       "    // Register the callback with on_msg.\n",
       "    comm.on_msg(function(msg) {\n",
       "        //console.log('receiving', msg['content']['data'], msg);\n",
       "        // Pass the mpl event to the overriden (by mpl) onmessage function.\n",
       "        ws.onmessage(msg['content']['data'])\n",
       "    });\n",
       "    return ws;\n",
       "}\n",
       "\n",
       "mpl.mpl_figure_comm = function(comm, msg) {\n",
       "    // This is the function which gets called when the mpl process\n",
       "    // starts-up an IPython Comm through the \"matplotlib\" channel.\n",
       "\n",
       "    var id = msg.content.data.id;\n",
       "    // Get hold of the div created by the display call when the Comm\n",
       "    // socket was opened in Python.\n",
       "    var element = $(\"#\" + id);\n",
       "    var ws_proxy = comm_websocket_adapter(comm)\n",
       "\n",
       "    function ondownload(figure, format) {\n",
       "        window.open(figure.imageObj.src);\n",
       "    }\n",
       "\n",
       "    var fig = new mpl.figure(id, ws_proxy,\n",
       "                           ondownload,\n",
       "                           element.get(0));\n",
       "\n",
       "    // Call onopen now - mpl needs it, as it is assuming we've passed it a real\n",
       "    // web socket which is closed, not our websocket->open comm proxy.\n",
       "    ws_proxy.onopen();\n",
       "\n",
       "    fig.parent_element = element.get(0);\n",
       "    fig.cell_info = mpl.find_output_cell(\"<div id='\" + id + \"'></div>\");\n",
       "    if (!fig.cell_info) {\n",
       "        console.error(\"Failed to find cell for figure\", id, fig);\n",
       "        return;\n",
       "    }\n",
       "\n",
       "    var output_index = fig.cell_info[2]\n",
       "    var cell = fig.cell_info[0];\n",
       "\n",
       "};\n",
       "\n",
       "mpl.figure.prototype.handle_close = function(fig, msg) {\n",
       "    var width = fig.canvas.width/mpl.ratio\n",
       "    fig.root.unbind('remove')\n",
       "\n",
       "    // Update the output cell to use the data from the current canvas.\n",
       "    fig.push_to_output();\n",
       "    var dataURL = fig.canvas.toDataURL();\n",
       "    // Re-enable the keyboard manager in IPython - without this line, in FF,\n",
       "    // the notebook keyboard shortcuts fail.\n",
       "    IPython.keyboard_manager.enable()\n",
       "    $(fig.parent_element).html('<img src=\"' + dataURL + '\" width=\"' + width + '\">');\n",
       "    fig.close_ws(fig, msg);\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.close_ws = function(fig, msg){\n",
       "    fig.send_message('closing', msg);\n",
       "    // fig.ws.close()\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.push_to_output = function(remove_interactive) {\n",
       "    // Turn the data on the canvas into data in the output cell.\n",
       "    var width = this.canvas.width/mpl.ratio\n",
       "    var dataURL = this.canvas.toDataURL();\n",
       "    this.cell_info[1]['text/html'] = '<img src=\"' + dataURL + '\" width=\"' + width + '\">';\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.updated_canvas_event = function() {\n",
       "    // Tell IPython that the notebook contents must change.\n",
       "    IPython.notebook.set_dirty(true);\n",
       "    this.send_message(\"ack\", {});\n",
       "    var fig = this;\n",
       "    // Wait a second, then push the new image to the DOM so\n",
       "    // that it is saved nicely (might be nice to debounce this).\n",
       "    setTimeout(function () { fig.push_to_output() }, 1000);\n",
       "}\n",
       "\n",
       "mpl.figure.prototype._init_toolbar = function() {\n",
       "    var fig = this;\n",
       "\n",
       "    var nav_element = $('<div/>')\n",
       "    nav_element.attr('style', 'width: 100%');\n",
       "    this.root.append(nav_element);\n",
       "\n",
       "    // Define a callback function for later on.\n",
       "    function toolbar_event(event) {\n",
       "        return fig.toolbar_button_onclick(event['data']);\n",
       "    }\n",
       "    function toolbar_mouse_event(event) {\n",
       "        return fig.toolbar_button_onmouseover(event['data']);\n",
       "    }\n",
       "\n",
       "    for(var toolbar_ind in mpl.toolbar_items){\n",
       "        var name = mpl.toolbar_items[toolbar_ind][0];\n",
       "        var tooltip = mpl.toolbar_items[toolbar_ind][1];\n",
       "        var image = mpl.toolbar_items[toolbar_ind][2];\n",
       "        var method_name = mpl.toolbar_items[toolbar_ind][3];\n",
       "\n",
       "        if (!name) { continue; };\n",
       "\n",
       "        var button = $('<button class=\"btn btn-default\" href=\"#\" title=\"' + name + '\"><i class=\"fa ' + image + ' fa-lg\"></i></button>');\n",
       "        button.click(method_name, toolbar_event);\n",
       "        button.mouseover(tooltip, toolbar_mouse_event);\n",
       "        nav_element.append(button);\n",
       "    }\n",
       "\n",
       "    // Add the status bar.\n",
       "    var status_bar = $('<span class=\"mpl-message\" style=\"text-align:right; float: right;\"/>');\n",
       "    nav_element.append(status_bar);\n",
       "    this.message = status_bar[0];\n",
       "\n",
       "    // Add the close button to the window.\n",
       "    var buttongrp = $('<div class=\"btn-group inline pull-right\"></div>');\n",
       "    var button = $('<button class=\"btn btn-mini btn-primary\" href=\"#\" title=\"Stop Interaction\"><i class=\"fa fa-power-off icon-remove icon-large\"></i></button>');\n",
       "    button.click(function (evt) { fig.handle_close(fig, {}); } );\n",
       "    button.mouseover('Stop Interaction', toolbar_mouse_event);\n",
       "    buttongrp.append(button);\n",
       "    var titlebar = this.root.find($('.ui-dialog-titlebar'));\n",
       "    titlebar.prepend(buttongrp);\n",
       "}\n",
       "\n",
       "mpl.figure.prototype._root_extra_style = function(el){\n",
       "    var fig = this\n",
       "    el.on(\"remove\", function(){\n",
       "\tfig.close_ws(fig, {});\n",
       "    });\n",
       "}\n",
       "\n",
       "mpl.figure.prototype._canvas_extra_style = function(el){\n",
       "    // this is important to make the div 'focusable\n",
       "    el.attr('tabindex', 0)\n",
       "    // reach out to IPython and tell the keyboard manager to turn it's self\n",
       "    // off when our div gets focus\n",
       "\n",
       "    // location in version 3\n",
       "    if (IPython.notebook.keyboard_manager) {\n",
       "        IPython.notebook.keyboard_manager.register_events(el);\n",
       "    }\n",
       "    else {\n",
       "        // location in version 2\n",
       "        IPython.keyboard_manager.register_events(el);\n",
       "    }\n",
       "\n",
       "}\n",
       "\n",
       "mpl.figure.prototype._key_event_extra = function(event, name) {\n",
       "    var manager = IPython.notebook.keyboard_manager;\n",
       "    if (!manager)\n",
       "        manager = IPython.keyboard_manager;\n",
       "\n",
       "    // Check for shift+enter\n",
       "    if (event.shiftKey && event.which == 13) {\n",
       "        this.canvas_div.blur();\n",
       "        // select the cell after this one\n",
       "        var index = IPython.notebook.find_cell_index(this.cell_info[0]);\n",
       "        IPython.notebook.select(index + 1);\n",
       "    }\n",
       "}\n",
       "\n",
       "mpl.figure.prototype.handle_save = function(fig, msg) {\n",
       "    fig.ondownload(fig, null);\n",
       "}\n",
       "\n",
       "\n",
       "mpl.find_output_cell = function(html_output) {\n",
       "    // Return the cell and output element which can be found *uniquely* in the notebook.\n",
       "    // Note - this is a bit hacky, but it is done because the \"notebook_saving.Notebook\"\n",
       "    // IPython event is triggered only after the cells have been serialised, which for\n",
       "    // our purposes (turning an active figure into a static one), is too late.\n",
       "    var cells = IPython.notebook.get_cells();\n",
       "    var ncells = cells.length;\n",
       "    for (var i=0; i<ncells; i++) {\n",
       "        var cell = cells[i];\n",
       "        if (cell.cell_type === 'code'){\n",
       "            for (var j=0; j<cell.output_area.outputs.length; j++) {\n",
       "                var data = cell.output_area.outputs[j];\n",
       "                if (data.data) {\n",
       "                    // IPython >= 3 moved mimebundle to data attribute of output\n",
       "                    data = data.data;\n",
       "                }\n",
       "                if (data['text/html'] == html_output) {\n",
       "                    return [cell, data, j];\n",
       "                }\n",
       "            }\n",
       "        }\n",
       "    }\n",
       "}\n",
       "\n",
       "// Register the function which deals with the matplotlib target/channel.\n",
       "// The kernel may be null if the page has been refreshed.\n",
       "if (IPython.notebook.kernel != null) {\n",
       "    IPython.notebook.kernel.comm_manager.register_target('matplotlib', mpl.mpl_figure_comm);\n",
       "}\n"
      ],
      "text/plain": [
       "<IPython.core.display.Javascript object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    },
    {
     "data": {
      "text/html": [
       "<img src=\"data:image/png;base64,[encoded data, 38764 characters]\" width=\"639.8333333333334\">"
      ],
      "text/plain": [
       "<IPython.core.display.HTML object>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "plt.figure()\n",
    "plt.plot(100*X_Li_ca, E_cell_therm,color='b', linewidth=2.5)\n",
    "plt.plot(100*X_Li_ca, E_cell_kin,linewidth=0., marker='o', markerfacecolor='none', markeredgecolor='r')\n",
    "plt.ylim([2.5, 4.3])\n",
    "plt.xlabel('Li Fraction in Cathode (%)', fontname='Times New Roman', fontsize=18)\n",
    "plt.ylabel('Open Circuit Potential (V)', fontname='Times New Roman', fontsize=18)\n",
    "plt.legend(['Thermodynamic', 'Kinetic'])\n",
    "\n",
    "ax = plt.gca()\n",
    "\n",
    "for tick in ax.xaxis.get_major_ticks():\n",
    "    tick.label1.set_fontsize(14)\n",
    "    tick.label1.set_fontname('Times New Roman')\n",
    "for tick in ax.yaxis.get_major_ticks():\n",
    "    tick.label1.set_fontsize(14)\n",
    "    tick.label1.set_fontname('Times New Roman')"
   ]
  },
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "As one would expect, the two approaches give identical results.  While both methods are incredibly fast, the thermodynamic method is roughly 30 times faster.\n",
    "\n",
    "A large part of this is that the thermodynamic approach is an analytical approach (i.e. the answer is known from theory), while the kinetic approach relies on the root-finding fzero method to fit the correct voltage.  Note also that the kinetic method, because of the use of Butler-Volmer kinetics, calculates the thermodynamic voltage, in order to calculate the overpotential $\\eta = \\Delta \\Phi - \\Delta \\Phi_{\\rm eq}$.\n",
    "\n",
    "However, it is at last important to note that, while slower, the kinetic method is of course more robust, and can be used to find results away from equilibrium.  The thermodynamic method is only applicable at equilibrium (zero current)."
   ]
  }
 ],
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