{
 "cells": [
  {
   "cell_type": "markdown",
   "metadata": {},
   "source": [
    "Sources:\n",
    "- Data: https://agupubs.onlinelibrary.wiley.com/doi/full/10.1029/2019RG000691\n",
    "- The original code for the evaluation of GWP/GTP from AR6 Table 7.SM.7 is available here: https://github.com/chrisroadmap/ar6/blob/main/notebooks/335_chapter7_generate_metrics.ipynb\n",
    "- The actual metrics calculations is here: https://github.com/chrisroadmap/ar6/tree/main/src/ar6/metrics"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "metadata": {},
   "outputs": [],
   "source": [
    "import pandas as pd\n",
    "import numpy as np"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "metadata": {},
   "outputs": [],
   "source": [
    "data = pd.read_csv('/Users/timodiepers/Documents/Coding/timex/bw_timex/data/hodnebrog20.csv', usecols=[\"CASRN\", \"Molar mass\", \"Lifetime (yr)\", \"RE (W m-2 ppb-1)\"]).dropna()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>CASRN</th>\n",
       "      <th>Molar mass</th>\n",
       "      <th>Lifetime (yr)</th>\n",
       "      <th>RE (W m-2 ppb-1)</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>75-69-4</td>\n",
       "      <td>0.13736</td>\n",
       "      <td>52.0000</td>\n",
       "      <td>0.25941</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>75-71-8</td>\n",
       "      <td>0.12091</td>\n",
       "      <td>102.0000</td>\n",
       "      <td>0.31998</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>75-72-9</td>\n",
       "      <td>0.10446</td>\n",
       "      <td>640.0000</td>\n",
       "      <td>0.27752</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>76-12-0</td>\n",
       "      <td>0.20382</td>\n",
       "      <td>63.6000</td>\n",
       "      <td>0.28192</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>5</th>\n",
       "      <td>76-11-9</td>\n",
       "      <td>0.20382</td>\n",
       "      <td>52.0000</td>\n",
       "      <td>0.24564</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>...</th>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "      <td>...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>610</th>\n",
       "      <td>141-63-9</td>\n",
       "      <td>0.38489</td>\n",
       "      <td>0.0110</td>\n",
       "      <td>0.06400</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>611</th>\n",
       "      <td>541-05-9</td>\n",
       "      <td>0.22248</td>\n",
       "      <td>0.0384</td>\n",
       "      <td>0.10000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>612</th>\n",
       "      <td>556-67-2</td>\n",
       "      <td>0.29664</td>\n",
       "      <td>0.0274</td>\n",
       "      <td>0.12000</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>613</th>\n",
       "      <td>541-02-6</td>\n",
       "      <td>0.37080</td>\n",
       "      <td>0.0164</td>\n",
       "      <td>0.09800</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>614</th>\n",
       "      <td>540-97-6</td>\n",
       "      <td>0.44496</td>\n",
       "      <td>0.0110</td>\n",
       "      <td>0.08600</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>243 rows × 4 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "        CASRN  Molar mass  Lifetime (yr)  RE (W m-2 ppb-1)\n",
       "1     75-69-4     0.13736        52.0000           0.25941\n",
       "2     75-71-8     0.12091       102.0000           0.31998\n",
       "3     75-72-9     0.10446       640.0000           0.27752\n",
       "4     76-12-0     0.20382        63.6000           0.28192\n",
       "5     76-11-9     0.20382        52.0000           0.24564\n",
       "..        ...         ...            ...               ...\n",
       "610  141-63-9     0.38489         0.0110           0.06400\n",
       "611  541-05-9     0.22248         0.0384           0.10000\n",
       "612  556-67-2     0.29664         0.0274           0.12000\n",
       "613  541-02-6     0.37080         0.0164           0.09800\n",
       "614  540-97-6     0.44496         0.0110           0.08600\n",
       "\n",
       "[243 rows x 4 columns]"
      ]
     },
     "execution_count": 3,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "metadata": {},
   "outputs": [],
   "source": [
    "def format_cas(cas):\n",
    "    # Split the CAS number by the dash\n",
    "    parts = cas.split('-')\n",
    "    # Format the first part to ensure it has 6 digits\n",
    "    parts[0] = parts[0].zfill(6)\n",
    "    # Join the parts back together and return\n",
    "    return '-'.join(parts)\n",
    "\n",
    "M_air = 28.97e-3  # kg/mol, dry air\n",
    "m_atmosphere = 5.135e18  # kg [Trenberth and Smith, 2005]\n",
    "\n",
    "decay_multipliers_dict = {}\n",
    " \n",
    "for cas, tau, M, radiative_efficiency_ppb in zip(data['CASRN'], data['Lifetime (yr)'], data['Molar mass'], data['RE (W m-2 ppb-1)']):\n",
    "    \n",
    "    if cas == \"2551-62-4\":\n",
    "        tau = 1000 # Decreased lifetime of SF6 from 3200 to 1000 years. See IPCC AR6, Ch. 2.2.4.3. doi: 10.1017/9781009157896.004\n",
    "    \n",
    "    # for conversion from ppb to kg-CH4\n",
    "    radiative_efficiency_kg = (\n",
    "        radiative_efficiency_ppb * M_air / M * 1e9 / m_atmosphere\n",
    "    )  # W/m2/kg-CH4;\n",
    "\n",
    "    decay_multipliers: list = np.array(\n",
    "        [\n",
    "            radiative_efficiency_kg * tau * (1 - np.exp(-year / tau))\n",
    "            for year in range(2000)\n",
    "        ]\n",
    "    ).tolist()\n",
    "    \n",
    "    decay_multipliers_dict[format_cas(cas)] = decay_multipliers"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "metadata": {},
   "outputs": [],
   "source": [
    "import json"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "metadata": {},
   "outputs": [],
   "source": [
    "with open('decay_multipliers.json', 'w') as f:\n",
    "    json.dump(decay_multipliers_dict, f)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "metadata": {},
   "outputs": [],
   "source": []
  }
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