{
 "cells": [
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "e2fb2c7b-89ca-4e2b-aa44-19403cef590a",
   "metadata": {},
   "outputs": [],
   "source": [
    "import pandas as pd"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "f47b0afa-9e2d-4f2d-a51b-6e2071ffd08a",
   "metadata": {},
   "outputs": [],
   "source": [
    "old_data = pd.read_excel('./data/煤质碳材料数据.xlsx')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "77fa919c-d186-4079-a7b1-70842c97c3ec",
   "metadata": {},
   "outputs": [],
   "source": [
    "nature_data = pd.read_excel('./data/nature.xlsx')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "38a1f29b-06e1-47a4-8839-e37568bac6cf",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>编号</th>\n",
       "      <th>煤种</th>\n",
       "      <th>分析水Mad</th>\n",
       "      <th>灰分</th>\n",
       "      <th>挥发分</th>\n",
       "      <th>碳</th>\n",
       "      <th>氢</th>\n",
       "      <th>氮</th>\n",
       "      <th>硫</th>\n",
       "      <th>氧</th>\n",
       "      <th>碳化温度（℃）</th>\n",
       "      <th>升温速率（℃/min)</th>\n",
       "      <th>保温时间(h)</th>\n",
       "      <th>KOH</th>\n",
       "      <th>K2CO3</th>\n",
       "      <th>BET比表面积（m2/g）</th>\n",
       "      <th>孔体积（cm3/g)</th>\n",
       "      <th>微孔体积（cm3/g)</th>\n",
       "      <th>介孔体积（cm3/g)</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>1</td>\n",
       "      <td>中级烟煤</td>\n",
       "      <td>2.12</td>\n",
       "      <td>8.49</td>\n",
       "      <td>37.14</td>\n",
       "      <td>86.20</td>\n",
       "      <td>5.42</td>\n",
       "      <td>1.60</td>\n",
       "      <td>0.00</td>\n",
       "      <td>6.78</td>\n",
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       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>2</td>\n",
       "      <td>萃取中级烟煤</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>75.11</td>\n",
       "      <td>4.73</td>\n",
       "      <td>1.38</td>\n",
       "      <td>0.00</td>\n",
       "      <td>18.78</td>\n",
       "      <td>1100.0</td>\n",
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       "      <td>2.0</td>\n",
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       "      <td>0</td>\n",
       "      <td>316.0</td>\n",
       "      <td>0.481</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>3</td>\n",
       "      <td>褐煤</td>\n",
       "      <td>14.91</td>\n",
       "      <td>4.35</td>\n",
       "      <td>48.42</td>\n",
       "      <td>67.76</td>\n",
       "      <td>4.57</td>\n",
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       "      <td>22.82</td>\n",
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       "      <td>0.5</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>665.0</td>\n",
       "      <td>0.356</td>\n",
       "      <td>0.289</td>\n",
       "      <td>0.067</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>4</td>\n",
       "      <td>褐煤</td>\n",
       "      <td>14.91</td>\n",
       "      <td>4.35</td>\n",
       "      <td>48.42</td>\n",
       "      <td>67.76</td>\n",
       "      <td>4.57</td>\n",
       "      <td>1.29</td>\n",
       "      <td>3.56</td>\n",
       "      <td>22.82</td>\n",
       "      <td>650.0</td>\n",
       "      <td>10.0</td>\n",
       "      <td>0.5</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>1221.0</td>\n",
       "      <td>0.608</td>\n",
       "      <td>0.482</td>\n",
       "      <td>0.126</td>\n",
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       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>5</td>\n",
       "      <td>褐煤</td>\n",
       "      <td>14.91</td>\n",
       "      <td>4.35</td>\n",
       "      <td>48.42</td>\n",
       "      <td>67.76</td>\n",
       "      <td>4.57</td>\n",
       "      <td>1.29</td>\n",
       "      <td>3.56</td>\n",
       "      <td>22.82</td>\n",
       "      <td>650.0</td>\n",
       "      <td>10.0</td>\n",
       "      <td>0.5</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>2609.0</td>\n",
       "      <td>1.438</td>\n",
       "      <td>0.670</td>\n",
       "      <td>0.768</td>\n",
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       "    <tr>\n",
       "      <th>...</th>\n",
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       "      <th>66</th>\n",
       "      <td>67</td>\n",
       "      <td>无烟煤</td>\n",
       "      <td>0.81</td>\n",
       "      <td>4.15</td>\n",
       "      <td>9.77</td>\n",
       "      <td>91.59</td>\n",
       "      <td>3.96</td>\n",
       "      <td>1.76</td>\n",
       "      <td>0.21</td>\n",
       "      <td>2.48</td>\n",
       "      <td>800.0</td>\n",
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       "      <td>1.0</td>\n",
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       "      <td>3142.0</td>\n",
       "      <td>1.608</td>\n",
       "      <td>1.204</td>\n",
       "      <td>0.404</td>\n",
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       "    <tr>\n",
       "      <th>67</th>\n",
       "      <td>68</td>\n",
       "      <td>无烟煤</td>\n",
       "      <td>0.81</td>\n",
       "      <td>4.15</td>\n",
       "      <td>9.77</td>\n",
       "      <td>91.59</td>\n",
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       "      <td>1.76</td>\n",
       "      <td>0.21</td>\n",
       "      <td>2.48</td>\n",
       "      <td>800.0</td>\n",
       "      <td>5.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>3389.0</td>\n",
       "      <td>2.041</td>\n",
       "      <td>1.022</td>\n",
       "      <td>1.019</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>68</th>\n",
       "      <td>69</td>\n",
       "      <td>无烟煤</td>\n",
       "      <td>0.88</td>\n",
       "      <td>8.42</td>\n",
       "      <td>8.83</td>\n",
       "      <td>91.69</td>\n",
       "      <td>2.31</td>\n",
       "      <td>2.04</td>\n",
       "      <td>0.00</td>\n",
       "      <td>3.96</td>\n",
       "      <td>700.0</td>\n",
       "      <td>5.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>2542.0</td>\n",
       "      <td>1.135</td>\n",
       "      <td>0.916</td>\n",
       "      <td>0.219</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>69</th>\n",
       "      <td>70</td>\n",
       "      <td>无烟煤</td>\n",
       "      <td>0.88</td>\n",
       "      <td>8.42</td>\n",
       "      <td>8.83</td>\n",
       "      <td>91.69</td>\n",
       "      <td>2.31</td>\n",
       "      <td>2.04</td>\n",
       "      <td>0.00</td>\n",
       "      <td>3.96</td>\n",
       "      <td>800.0</td>\n",
       "      <td>5.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>2665.0</td>\n",
       "      <td>1.219</td>\n",
       "      <td>0.947</td>\n",
       "      <td>0.272</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>70</th>\n",
       "      <td>71</td>\n",
       "      <td>无烟煤</td>\n",
       "      <td>0.88</td>\n",
       "      <td>8.42</td>\n",
       "      <td>8.83</td>\n",
       "      <td>91.69</td>\n",
       "      <td>2.31</td>\n",
       "      <td>2.04</td>\n",
       "      <td>0.00</td>\n",
       "      <td>3.96</td>\n",
       "      <td>900.0</td>\n",
       "      <td>5.0</td>\n",
       "      <td>1.0</td>\n",
       "      <td>1</td>\n",
       "      <td>0</td>\n",
       "      <td>2947.0</td>\n",
       "      <td>1.473</td>\n",
       "      <td>0.718</td>\n",
       "      <td>0.755</td>\n",
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       "  </tbody>\n",
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       "<p>71 rows × 19 columns</p>\n",
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      ],
      "text/plain": [
       "    编号      煤种  分析水Mad    灰分    挥发分      碳     氢     氮     硫      氧  碳化温度（℃）  \\\n",
       "0    1    中级烟煤    2.12  8.49  37.14  86.20  5.42  1.60  0.00   6.78   1100.0   \n",
       "1    2  萃取中级烟煤     NaN   NaN    NaN  75.11  4.73  1.38  0.00  18.78   1100.0   \n",
       "2    3      褐煤   14.91  4.35  48.42  67.76  4.57  1.29  3.56  22.82    650.0   \n",
       "3    4      褐煤   14.91  4.35  48.42  67.76  4.57  1.29  3.56  22.82    650.0   \n",
       "4    5      褐煤   14.91  4.35  48.42  67.76  4.57  1.29  3.56  22.82    650.0   \n",
       "..  ..     ...     ...   ...    ...    ...   ...   ...   ...    ...      ...   \n",
       "66  67     无烟煤    0.81  4.15   9.77  91.59  3.96  1.76  0.21   2.48    800.0   \n",
       "67  68     无烟煤    0.81  4.15   9.77  91.59  3.96  1.76  0.21   2.48    800.0   \n",
       "68  69     无烟煤    0.88  8.42   8.83  91.69  2.31  2.04  0.00   3.96    700.0   \n",
       "69  70     无烟煤    0.88  8.42   8.83  91.69  2.31  2.04  0.00   3.96    800.0   \n",
       "70  71     无烟煤    0.88  8.42   8.83  91.69  2.31  2.04  0.00   3.96    900.0   \n",
       "\n",
       "    升温速率（℃/min)  保温时间(h)  KOH  K2CO3  BET比表面积（m2/g）  孔体积（cm3/g)  微孔体积（cm3/g)  \\\n",
       "0           2.0      2.0    0      0          296.0       0.270          NaN   \n",
       "1           2.0      2.0    0      0          316.0       0.481          NaN   \n",
       "2          10.0      0.5    1      0          665.0       0.356        0.289   \n",
       "3          10.0      0.5    1      0         1221.0       0.608        0.482   \n",
       "4          10.0      0.5    1      0         2609.0       1.438        0.670   \n",
       "..          ...      ...  ...    ...            ...         ...          ...   \n",
       "66          5.0      1.0    1      0         3142.0       1.608        1.204   \n",
       "67          5.0      1.0    1      0         3389.0       2.041        1.022   \n",
       "68          5.0      1.0    1      0         2542.0       1.135        0.916   \n",
       "69          5.0      1.0    1      0         2665.0       1.219        0.947   \n",
       "70          5.0      1.0    1      0         2947.0       1.473        0.718   \n",
       "\n",
       "    介孔体积（cm3/g)  \n",
       "0           NaN  \n",
       "1           NaN  \n",
       "2         0.067  \n",
       "3         0.126  \n",
       "4         0.768  \n",
       "..          ...  \n",
       "66        0.404  \n",
       "67        1.019  \n",
       "68        0.219  \n",
       "69        0.272  \n",
       "70        0.755  \n",
       "\n",
       "[71 rows x 19 columns]"
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "old_data"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "ff938db8-3824-4f9b-8a0f-ae12559fbfbb",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>Csp(F/g)</th>\n",
       "      <th>electrolyte</th>\n",
       "      <th>υ(mV/s)</th>\n",
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       "      <td>17.00</td>\n",
       "      <td>15.60</td>\n",
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       "      <th>4</th>\n",
       "      <td>0.00</td>\n",
       "      <td>6MKOH</td>\n",
       "      <td>300</td>\n",
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       "      <th>283</th>\n",
       "      <td>218.17</td>\n",
       "      <td>1MH2SO4</td>\n",
       "      <td>150</td>\n",
       "      <td>1691</td>\n",
       "      <td>258</td>\n",
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       "      <th>284</th>\n",
       "      <td>198.38</td>\n",
       "      <td>1MH2SO4</td>\n",
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       "      <td>1691</td>\n",
       "      <td>258</td>\n",
       "      <td>16.45</td>\n",
       "      <td>3.31</td>\n",
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       "    <tr>\n",
       "      <th>285</th>\n",
       "      <td>171.19</td>\n",
       "      <td>1MH2SO4</td>\n",
       "      <td>300</td>\n",
       "      <td>1691</td>\n",
       "      <td>258</td>\n",
       "      <td>16.45</td>\n",
       "      <td>3.31</td>\n",
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       "    <tr>\n",
       "      <th>286</th>\n",
       "      <td>152.27</td>\n",
       "      <td>1MH2SO4</td>\n",
       "      <td>400</td>\n",
       "      <td>1691</td>\n",
       "      <td>258</td>\n",
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      ],
      "text/plain": [
       "     Csp(F/g) electrolyte  υ(mV/s)  SAmicro(m2/g)  SAmeso(m2/g)      O      N\n",
       "0        0.00       6MKOH        1              0             0   0.00   0.00\n",
       "1        0.00       6MKOH      300              0             0   0.00   0.00\n",
       "2        0.00       6MKOH      500              0             0   0.00   0.00\n",
       "3        0.00       6MKOH        1              0             0  17.00  15.60\n",
       "4        0.00       6MKOH      300              0             0  17.00  15.60\n",
       "..        ...         ...      ...            ...           ...    ...    ...\n",
       "283    218.17     1MH2SO4      150           1691           258  16.45   3.31\n",
       "284    198.38     1MH2SO4      200           1691           258  16.45   3.31\n",
       "285    171.19     1MH2SO4      300           1691           258  16.45   3.31\n",
       "286    152.27     1MH2SO4      400           1691           258  16.45   3.31\n",
       "287    137.40     1MH2SO4      500           1691           258  16.45   3.31\n",
       "\n",
       "[288 rows x 7 columns]"
      ]
     },
     "execution_count": 5,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "nature_data"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "11ae5919-681c-4667-8c8f-bf71cde0f036",
   "metadata": {},
   "source": [
    "基于微孔介孔，推一下CHS？"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "435c980c-251f-42d5-883c-233d083df3a3",
   "metadata": {},
   "outputs": [],
   "source": [
    "fea_cols = ['微孔体积（cm3/g)', '介孔体积（cm3/g)', '氧', '氮']"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "c787ae5c-db4a-4424-ac97-fafdd60a0b5c",
   "metadata": {},
   "outputs": [],
   "source": [
    "out_cols = ['碳', '氢', '硫']"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "id": "361dce5d-3d08-4c7b-9bcf-9823a75b1f9e",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "<div>\n",
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       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
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       "    }\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>O</th>\n",
       "      <th>N</th>\n",
       "      <th>SAmicro(m2/g)</th>\n",
       "      <th>SAmeso(m2/g)</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>0.00</td>\n",
       "      <td>0.00</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>17.00</td>\n",
       "      <td>15.60</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>6</th>\n",
       "      <td>8.50</td>\n",
       "      <td>7.80</td>\n",
       "      <td>0</td>\n",
       "      <td>0</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>9</th>\n",
       "      <td>0.00</td>\n",
       "      <td>0.00</td>\n",
       "      <td>120</td>\n",
       "      <td>216</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>13</th>\n",
       "      <td>0.00</td>\n",
       "      <td>0.00</td>\n",
       "      <td>107</td>\n",
       "      <td>315</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>159</th>\n",
       "      <td>6.25</td>\n",
       "      <td>9.57</td>\n",
       "      <td>640</td>\n",
       "      <td>184</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>160</th>\n",
       "      <td>8.49</td>\n",
       "      <td>5.38</td>\n",
       "      <td>563</td>\n",
       "      <td>120</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>161</th>\n",
       "      <td>7.84</td>\n",
       "      <td>7.02</td>\n",
       "      <td>680</td>\n",
       "      <td>641</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>164</th>\n",
       "      <td>0.00</td>\n",
       "      <td>0.00</td>\n",
       "      <td>0</td>\n",
       "      <td>1082</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>165</th>\n",
       "      <td>14.97</td>\n",
       "      <td>0.00</td>\n",
       "      <td>1590</td>\n",
       "      <td>1030</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>63 rows × 4 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "         O      N  SAmicro(m2/g)  SAmeso(m2/g)\n",
       "0     0.00   0.00              0             0\n",
       "3    17.00  15.60              0             0\n",
       "6     8.50   7.80              0             0\n",
       "9     0.00   0.00            120           216\n",
       "13    0.00   0.00            107           315\n",
       "..     ...    ...            ...           ...\n",
       "159   6.25   9.57            640           184\n",
       "160   8.49   5.38            563           120\n",
       "161   7.84   7.02            680           641\n",
       "164   0.00   0.00              0          1082\n",
       "165  14.97   0.00           1590          1030\n",
       "\n",
       "[63 rows x 4 columns]"
      ]
     },
     "execution_count": 10,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "nature_data[nature_data.electrolyte=='6MKOH'][['O', 'N', 'SAmicro(m2/g)', 'SAmeso(m2/g)']].drop_duplicates()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": null,
   "id": "101dba3e-4029-4d53-b64a-89c5a90f3471",
   "metadata": {},
   "outputs": [],
   "source": []
  }
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