Extract_Text_from_PDF.ipynb

{
  "cells": [
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "YNpoVOSpxkt5"
      },
      "source": [
        "# Extracting Text from PDF Files\n",
        "\n",
        "Let's look at how to extract text from a PDF file, using the [`pdfx`](https://www.metachris.com/pdfx/) library in Python.\n",
        "\n",
        "First we need to install the library:"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 1,
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "27up1O7qxkt-",
        "outputId": "faf6fd83-c371-4c3b-b4bc-5030b693ea4a"
      },
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "Collecting pdfx\n",
            "  Downloading pdfx-1.4.1-py2.py3-none-any.whl (21 kB)\n",
            "Collecting pdfminer.six==20201018 (from pdfx)\n",
            "  Downloading pdfminer.six-20201018-py3-none-any.whl (5.6 MB)\n",
            "\u001b[2K     \u001b[90m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[32m5.6/5.6 MB\u001b[0m \u001b[31m51.3 MB/s\u001b[0m eta \u001b[36m0:00:00\u001b[0m\n",
            "\u001b[?25hCollecting chardet==4.0.0 (from pdfx)\n",
            "  Downloading chardet-4.0.0-py2.py3-none-any.whl (178 kB)\n",
            "\u001b[2K     \u001b[90m━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━\u001b[0m \u001b[32m178.7/178.7 kB\u001b[0m \u001b[31m24.9 MB/s\u001b[0m eta \u001b[36m0:00:00\u001b[0m\n",
            "\u001b[?25hRequirement already satisfied: cryptography in /usr/local/lib/python3.10/dist-packages (from pdfminer.six==20201018->pdfx) (42.0.7)\n",
            "Requirement already satisfied: sortedcontainers in /usr/local/lib/python3.10/dist-packages (from pdfminer.six==20201018->pdfx) (2.4.0)\n",
            "Requirement already satisfied: cffi>=1.12 in /usr/local/lib/python3.10/dist-packages (from cryptography->pdfminer.six==20201018->pdfx) (1.16.0)\n",
            "Requirement already satisfied: pycparser in /usr/local/lib/python3.10/dist-packages (from cffi>=1.12->cryptography->pdfminer.six==20201018->pdfx) (2.22)\n",
            "Installing collected packages: chardet, pdfminer.six, pdfx\n",
            "  Attempting uninstall: chardet\n",
            "    Found existing installation: chardet 5.2.0\n",
            "    Uninstalling chardet-5.2.0:\n",
            "      Successfully uninstalled chardet-5.2.0\n",
            "Successfully installed chardet-4.0.0 pdfminer.six-20201018 pdfx-1.4.1\n"
          ]
        }
      ],
      "source": [
        "!pip install pdfx"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "9mab_7WmxkuB"
      },
      "source": [
        "Next, let's work with an example from the corpus in the [Rich Context leaderboard competition](https://github.com/Coleridge-Initiative/rclc/blob/master/corpus.ttl) – a machine learning competition about parsing named entities from PDFs of open access research publications.\n",
        "\n",
        "The following snippets in [TTL format](https://en.wikipedia.org/wiki/Turtle_(syntax)) show a research paper `publication-7aa3d69253e37668541c` hosted on [EuropePMC](https://europepmc.org/) that has a known link to a dataset `dataset-0a7b604ab2e52411d45a` hosted by the [Centers for Disease Control and Prevention](https://wwwn.cdc.gov/nchs/nhanes/)."
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "Kc8yGb4pxkuD"
      },
      "source": [
        "```\n",
        ":publication-7aa3d69253e37668541c\n",
        "  rdf:type :ResearchPublication ;\n",
        "  foaf:page \"http://europepmc.org/articles/PMC3001474\"^^xsd:anyURI ;\n",
        "  dct:publisher \"PLoS One\" ;\n",
        "  dct:title \"VKORC1 common variation and bone mineral density in the Third National Health and Nutrition Examination Survey\" ;\n",
        "  dct:identifier \"10.1371/journal.pone.0015088\" ;\n",
        "  :openAccess \"http://europepmc.org/articles/PMC3001474?pdf=render\"^^xsd:anyURI ;\n",
        "  cito:citesAsDataSource :dataset-0a7b604ab2e52411d45a ;\n",
        ".\n",
        "\n",
        ":dataset-0a7b604ab2e52411d45a\n",
        "  rdf:type :Dataset ;\n",
        "  foaf:page \"https://wwwn.cdc.gov/nchs/nhanes/\"^^xsd:anyURI ;\n",
        "  dct:publisher \"Centers for Disease Control and Prevention\" ;\n",
        "  dct:title \"National Health and Nutrition Examination Survey\" ;\n",
        "  dct:alternative \"NHANES\" ;\n",
        "  dct:alternative \"NHANES I\" ;\n",
        "  dct:alternative \"NHANES II\" ;\n",
        "  dct:alternative \"NHANES III\" ;\n",
        ".\n",
        "```"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "w-k_ZD8axkuF"
      },
      "source": [
        "The paper is:\n",
        "\n",
        "  * [\"VKORC1 common variation and bone mineral density in the Third National Health and Nutrition Examination Survey\"](http://europepmc.org/articles/PMC3001474); Dana C. Crawford, Kristin Brown-Gentry, Mark J. Rieder; _PLoS One_. 2010; 5(12): e15088.\n",
        "\n",
        "We'll used `pdfx` to download the PDF file directly from the open access URL:"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 3,
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "IcXq4-84xkuG",
        "outputId": "5cc4a961-d44f-427f-8720-4d6a4a79771b"
      },
      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "<pdfx.PDFx at 0x7b2f53d9f4f0>"
            ]
          },
          "metadata": {},
          "execution_count": 3
        }
      ],
      "source": [
        "import pdfx\n",
        "\n",
        "#pdf = pdfx.PDFx(\"http://europepmc.org/articles/PMC3001474?pdf=render\")\n",
        "pdf = pdfx.PDFx(\"1.pdf\")\n",
        "pdf"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "NX3eEZmmxkuI"
      },
      "source": [
        "Next, use the `get_text()` function to extract the text from the `pdf` object:"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": 4,
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 1000
        },
        "id": "1_lNzu38xkuJ",
        "outputId": "5285fb91-91dc-43fd-89db-3333b381b19c"
      },
      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "'PCCP\\n\\nPAPER\\n\\nReceived 16th January 2015,\\nAccepted 17th February 2015\\n\\nDOI: 10.1039/c5cp00258c\\n\\nwww.rsc.org/pccp\\n\\nIntroduction\\n\\nComplex transition metal hydrides incorporating\\nionic hydrogen: thermal decomposition pathway\\nof Na2Mg2FeH8 and Na2Mg2RuH8\\n\\nTerry D. Humphries,*a Motoaki Matsuo,b Guanqiao Lia and Shin-ichi Orimoab\\n\\nComplex transition metal hydrides have potential\\n\\ntechnological application as hydrogen storage\\n\\nmaterials, smart windows and sensors. Recent exploration of these materials has revealed that the\\n\\nincorporation of anionic hydrogen into these systems expands the potential number of viable\\n\\ncomplexes, while varying the countercation allows for optimisation of their thermodynamic stability. In\\nthis study, the optimised synthesis of Na2Mg2TH8 (T = Fe, Ru) has been achieved and their thermal\\ndecomposition properties studied by ex situ Powder X-ray Diﬀraction, Gas Chromatography and\\n\\nPressure-Composition Isotherm measurements. The temperature and pathway of decomposition of\\nthese isostructural compounds diﬀers considerably, with Na2Mg2FeH8 proceeding via NaMgH3 in a\\nthree-step process, while Na2Mg2RuH8 decomposes via Mg2RuH4 in a two-step process. The first\\ndesorption maxima of Na2Mg2FeH8 occurs at ca. 400 1C, while Na2Mg2RuH8 has its first maxima at\\n420 1C. The enthalpy and entropy of desorption for Na2Mg2TH8 (T = Fe, Ru) has been established by\\nPCI measurements, with the DHdes for Na2Mg2FeH8 being 94.5 kJ mol(cid:2)1 H2 and 125 kJ mol(cid:2)1 H2 for\\nNa2Mg2RuH8.\\n\\nTransition metals are renowned for their diverse range of\\nvalence states and structural conformations.1,2 As such, in the\\nlast five decades a swathe of homoleptic transition metal\\nhydrides have been synthesised to determine their potential\\nfor technological applications. Mg2NiH4 was first realised\\nfor its reversible hydrogenation properties in 1968,3 and has\\nsince been investigated for a variety technological applications\\nincluding smart windows and sensors.4–7 Mg2FeH6, with a\\ngravimetric hydrogen storage content of 5.5 wt% has since\\nbeen developed,8–14 along with a host of other transition metal\\nhydride congeners and derivatives.1,2,15–22\\n\\nThe transition metal hydrides of Group 8 often form octa-\\nhedral [TH6]4(cid:2) anions, of which are limited to four-fold coordi-\\nnation by counterions (M) in the form of M+M0+M00+M0 0 0+,\\nM2+M0+M00+, M3+M0+, M2+M02+M00+. Expanding the diversity of\\ncoordination can be achieved by increasing the anionic charge\\nof the system, for instance by the inclusion of H(cid:2). A recent DFT\\n\\na WPI-Advanced Institute for Materials Research, Tohoku University, 2-1-1 Katahira,\\nAoba-ku, Sendai 980-8577, Japan. E-mail: terry_humphries81@hotmail.com;\\nFax: +81-22-215-2091; Tel: +81-22-215-2094\\nb Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku,\\nSendai 980-8577, Japan. E-mail: orimo@imr.tohoku.ac.jp; Fax: +81-22-215-2091;\\nTel: +81-22-215-2093\\n\\nstudy by Takagi et al. established that the incorporation of\\nanionic hydrogen into complex transition metal hydride com-\\npounds enables inclusion of a wider variety of cations, thereby\\nallowing tuning of these materials in order to optimise their\\nthermodynamic properties or hydrogen storage capacities.23 To\\ndate, a variety of quaternary complex hydrides have been synthe-\\nsised and their structural and physical properties explored, these\\ninclude LaMg2NiH7 (La3+(cid:3)2Mg2+(cid:3)3H(cid:2)(cid:3)[NiH4]4(cid:2)),18,24 Na2Mg2NiH6\\n(2Na+(cid:3)2Mg2+(cid:3)2H(cid:2)(cid:3)[NiH4]4(cid:2)),19,25 Na2Mg2TH8 (2Na+(cid:3)2Mg2+(cid:3)2H(cid:2)(cid:3)\\n[TH6]4(cid:2)) (T = Fe, Ru),20 MMg2FeH8 (M2+(cid:3)2Mg2+(cid:3)2H(cid:2)(cid:3)[TH6]4(cid:2))\\n(M = Ba, Ca, Sr; T = Fe, Ru, Os)15,16,26 and M4Mg4Fe3H22\\n(4Ca2+(cid:3)4Mg2+(cid:3)4H(cid:2)(cid:3)3[FeH6]4(cid:2)) (M = Ca, Yb).27,28 Thermodynamic\\ndata for these materials are scarce, although some experimental15,28\\nand DFT calculated23 values have been determined. SrMg2FeH8\\nand BaMg2FeH8 decompose at ca. 440 and 450 1C under 0.1 MPa\\nH2,15 respectively, while Ca4Mg4Fe3H22 and Yb4Mg4Fe3H22 decom-\\npose at ca. 395 and 420 1C,1,27,28 respectively. The enthalpy of\\ndesorption of Ca4Mg4Fe3H22 and Yb4Mg4Fe3H22 to their corres-\\nponding binary hydrides has been calculated to be 122 and\\n137 kJ mol(cid:2)1 H2, respectively.28 These values are significantly\\nlarger than those determined for the ternary Mg2FeH6 at\\n87 kJ mol(cid:2)1 H2,29 which decomposes at ca. 300 1C,13 and indicates\\nthe increased stabilisation oﬀered by the incorporation of anionic\\nhydrogen and varied cations into these quaternary compounds.\\nThe isostructural compounds of Na2Mg2FeH8 (5.1 wt% H)\\nand Na2Mg2RuH8 (4.0 wt% H) hold potential as hydrogen\\n\\n8276|Phys.Chem.Chem.Phys.,2015,17,8276--8282Thisjournalis©theOwnerSocieties2015Citethis:Phys.Chem.Chem.Phys.,2015,17,8276Open Access Article. Published on 17 February 2015. Downloaded on 27/09/2015 14:04:46.  This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.View Article OnlineView Journal | View Issue\\x0cPaper\\n\\nPCCP\\n\\nstorage materials.20 To make a fair assumption of their prospective\\napplication, a true understanding of the physical properties of\\nthese novel quaternary complex transition metal hydrides must be\\ndetermined, unto which the data is extremely sparse. As a con-\\nsequence, the influence of H(cid:2) on the thermal stability and\\ndecomposition process of these materials is generally unknown\\nand must be understood. As such, ex situ powder X-ray diﬀraction\\n(PXD) and Pressure-Composition Isotherm Measurements (PCI)\\nhave been conducted. Their temperatures and pathways of decom-\\nposition have been established and the associated enthalpies and\\nentropies of H2 desorption have been calculated and compared to\\nliterature values.\\n\\nExperimental\\n\\nAll preparation and manipulation was performed in a Miwa\\nglove box filled with purified argon (o1 ppm O2 and the dew\\npoint of H2O below 190 K) to avoid contamination.\\n\\nThe synthesis of Na2Mg2FeH8 was carried out by two methods:\\nS1 followed a four step process, which first required the synthesis\\nof Mg2FeH6. This was achieved by mechanically milling (Fritsch\\nPulverisette 7) MgH2 (hydrogen storage grade, Sigma Aldrich) and\\nFe (99.99%, Mitsuwa) powders at a molar ratio of 2 : 1 for 2 h at\\n400 rpm (ball-to-powder ratio 40 : 1), under argon with subsequent\\nheat treatment of the pelletised powder at 400 1C for 20 h under\\n3 MPa H2. The resultant olive green powder was then mechani-\\ncally milled with NaH (95%, Sigma Aldrich) at a molar ratio of\\n1 : 2 for 20 h under argon (S1-BM) with subsequent heat\\ntreatment of the pelletised powder at 400 1C for 20 h under\\n30 MPa H2. The product was yielded as an olive green powder.\\nThe synthesis of S2 (Na2Mg2FeH8) followed a two-step pro-\\ncess. NaH, MgH2 and Fe powders at a molar ratio of 2 : 2 : 1 were\\nmechanically milled for 20 h at 400 rpm (ball-to-powder ratio\\n40 : 1), under argon (S2-BM) with subsequent heat treatment of\\nthe pelletised powder at 400 1C for 60 h under 30 MPa H2. The\\nproduct was yielded as an olive green powder.\\n\\nThe synthesis of Na2Mg2RuH8 followed a two-step process.\\nMgH2, NaH and Ru (99.9%, Kojundo Chemical Laboratory)\\nwere mechanically milled (identical parameters as employed\\nwith Na2Mg2FeH8) at a molar ratio of 2 : 2 : 1 for 20 h under\\nargon (S3-BM), before subsequent heat treatment of the pelletised\\npowder at 500 1C for 20 h under 30 MPa H2. The product was\\nyielded as a light grey powder.\\n\\nPowder X-ray diﬀraction (PXD) measurements were con-\\nducted using a conventional X-ray diﬀractometer (Lab-PXD,\\nPANalytical X’Pert-Pro, CuKa radiation) in flat plate mode. Data\\nwere collected using a X’Celerator X linear position sensitive\\ndetector within a 2y range of 10–901 using 0.021 steps at 0.041/s\\nwith X-ray generator operating conditions of 45 kV and 40 mA.\\nThe PXD samples were loaded in an Ar glovebox and the sample\\nholder covered by Mylar film to prevent oxygen/moisture con-\\ntamination during data collection. PANalytical HighScore Plus\\nv. 3.0, DICVOL,30 CHEKCELL31 and GSAS32,33 were used for\\nphase identification, indexing, space group identification and\\nRietveld refinement, respectively.\\n\\nA GC323 (Gas Chromatography) (GL sciences Inc.) was used\\nto detect the desorbed H2 by means of a TCD detector, with a\\ncolumn temperature of 200 1C. Samples were heated at a rate of\\n5 1C min(cid:2)1 under an Ar flow of 40 ml min(cid:2)1.\\n\\nTypical Pressure-Composition Isotherm Measurements\\n(PCI) were conducted inside custom-built manometric appara-\\ntus, where the sample cell was placed in a furnace and heated\\nto the desired temperature at a hydrogen pressure of 6 MPa or\\n30 MPa. The experiment was controlled by software developed\\nby Suzuki Shokan Co., Ltd.\\n\\nResults and discussion\\nSynthesis of Na2Mg2TH8 (T = Fe, Ru)\\n\\nThe synthesis of Na2Mg2FeH8 was first reported to utilise\\nMg2FeH6 as a starting material, which was consequently milled\\nfor 20 h with NaH (S1-BM), followed by hydrogenation at\\n30 MPa H2 at 400 1C (eqn (1) and (2)).20 Overall, this method\\nis time intensive (in excess of 100 h due to the requirement of\\ntwo milling and two hydrogenation procedures), and the final\\nproduct also contains Fe, NaH, and Mg2FeH6 impurities. In\\norder to reduce the time requirements and levels of impurities,\\nalternative synthetic routes were investigated. It was deter-\\nmined that successful synthesis is achievable by ball milling\\n2NaH + MgH2 + Fe (S2-BM), followed by hydrogenation at\\n30 MPa H2 at 400 1C (eqn (3)), with an associated time require-\\nment of 80 h. The products after milling of each material diﬀer\\nconsiderably (Fig. 1), the constituents of S1-BM, identified by\\nPXD are not altered during milling (Mg2FeH6 + NaH) despite\\na broadening of the peaks due to a decrease of crystallite size\\n(or reduced crystallinity).34 The products of S2-BM were\\nNaMgH3 + Fe.35\\n\\nFig. 1 PXD of ball milled samples S1-BM (Mg2FeH6 + 2NaH), S2-BM (2NaH +\\n2MgH2 + Fe) and S3-BM (2MgH2 + 2NaH + Ru) and hydrogenated samples of\\nS1-3. l = CuKa. * = Na2Mg2TH8 (T = Fe, Ru); # = Mg2FeH6; @ = NaH; x = T\\n(Fe, Ru); $ = NaMgH3; ^ = NaOH; + = Mg; B MgH2; ! = unknown phase.\\n\\nThisjournalis©theOwnerSocieties2015Phys.Chem.Chem.Phys.,2015,17,8276--8282|8277Open Access Article. Published on 17 February 2015. Downloaded on 27/09/2015 14:04:46.  This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.View Article Online\\x0cPCCP\\n\\nPaper\\n\\nHydrogenation of the ball milled samples S1-BM and S2-BM\\nunder standard conditions (30 MPa H2 and 400 1C for 60 h),\\nresulted in the formation of Na2Mg2FeH8 as the major phase\\n(Fig. 1). Analysis of hydrogenated S1 by Reitveld refinement\\nindicates that the sample is 80.3(9)% pure and as such contains\\nresidual Mg2FeH6 (8.9(4)%), Fe (7.9(2)%), NaMgH3 (2.5(3)%)\\nand NaH (2.7(2)%) starting materials. Analysis of hydrogenated\\nS2 indicates that the sample contains 90.6(4)% Na2Mg2FeH8\\nand 9.4(3)% Fe, without residual Mg2FeH6 or NaH. This\\nindicates that the optimal method of synthesis is via the S2\\nmethod due to the elimination of the prerequisite Mg2FeH6\\nsynthesis (eqn (1)) and overall decrease in impurities compared\\nto S1, primarily due to the initial (complete) formation of NaMgH3\\nduring the milling reaction. Milling initiates the breaking of the\\nstrong Na–H bonds, which is required to ensue during the anneal-\\ning phase when synthesised via Mg2FeH6 (S1). This ultimately\\nleads to the observation of unreacted NaH and Mg2FeH6 start-\\ning materials.\\n\\nThe synthesis of Na2Mg2RuH8 follows a two-step reaction,\\nwhere stoichiometric quantities of Ru, NaH and MgH2 are\\nmilled for 5 h (S3-BM) before hydrogenation under 30 MPa\\nH2 at 500 1C for 20 h (S3) (eqn (4)).20 The composition of\\nthe milled material is unchanged from the starting materials\\n\\n(Fig. 1), whereas after hydrogenation the sample appears to be\\nmostly Na2Mg2RuH8, but also comprises of some residual Ru. An\\nunknown material is also identifiable within the Na2Mg2RuH8\\npowder (S3), of which only a few reflections are discernible.\\nThe occurrence of these additional Bragg peaks were also noted\\npreviously.20\\n\\n2MgH2 þ Fe (cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)!\\nð2Þ 3 MPa H2; 400 (cid:4)C; 20 h\\n\\nMg2FeH6\\n\\n(1)\\n\\nð1Þ 2 h BM\\n\\nMg2FeH6 þ 2NaH (cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)!\\nð2Þ 30 MPa H2; 400 (cid:4)C; 60 h\\n\\nNa2Mg2FeH8\\n\\n(2)\\n\\nð1Þ 20 h BM\\n\\n2MgH2 þ 2NaH þ Fe (cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)!\\nð2Þ 30 MPa H2; 400 (cid:4)C; 60 h\\n\\nNa2Mg2FeH8 (3)\\n\\n2NaH þ 2MgH2 þ Ru (cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)(cid:2)!\\nð2Þ 30 MPa H2; 500 (cid:4)C; 20 h\\n\\nNa2Mg3RuH8 (4)\\n\\nð1Þ 2 h BM\\n\\nð1Þ 5 h BM\\n\\nThermal decomposition of Na2Mg2TH8 (T = Fe, Ru)\\n\\nIn order to determine the thermal decomposition temperatures\\nof Na2Mg2TH8 (T = Fe, Ru), aliquots of each material were\\nheated at a rate of 5 1C min(cid:2)1 with GC detecting the corre-\\nsponding desorbed H2. The chromatograms obtained (Fig. 2a)\\n\\nFig. 2 (a) GC analysis of Mg2FeH6, Na2Mg2FeH8 (S1) and Na2Mg2RuH8 (S3) (DT = 5 1C min(cid:2)1). Ex situ PXD analysis of (b) Na2Mg2FeH8 (S1) and (c)\\nNa2Mg2RuH8 (S3) at selected temperatures (l = CuKa). Numbers on GC plots correlate to temperatures at which samples were heated prior to PXD\\nanalysis. * = Na2Mg2TH8 (T = Fe, Ru); # = Mg2FeH6; @ = NaH; x = T (Fe, Ru); $ = NaMgH3; ^ = NaOH; + = Mg; a = Mg3Ru2; ! = unknown phase;\\ny = unknown phase.\\n\\n8278|Phys.Chem.Chem.Phys.,2015,17,8276--8282Thisjournalis©theOwnerSocieties2015Open Access Article. Published on 17 February 2015. Downloaded on 27/09/2015 14:04:46.  This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.View Article Online\\x0cPaper\\n\\nPCCP\\n\\nare similar, with two stages of H2 desorption being observed for\\nboth materials (S1 and S3). The onset of decomposition for\\nNa2Mg2FeH8 occurs at ca. 280 1C, with the first maxima being\\nobserved at ca. 400 1C, and the second at ca. 430 1C. Decom-\\nposition concludes at ca. 475 1C. Conversely, the onset of H2\\ndesorption for Na2Mg2RuH8 occurs at ca. 325 1C, with the first\\nmaxima being observed at ca. 421 1C, and the second at\\nca. 460 1C. H2 is no longer detected after ca. 500 1C.\\n\\nTo ascertain the pathway of decomposition, ex situ PXD was\\nconducted on samples heated to selected temperatures in vacuo\\n(Fig. 2b and c). Analysis of Na2Mg2FeH8 after heating at 360 1C\\nindicates a miniscule quantity of Na2Mg2FeH8\\nresides,\\nalthough the majority has decomposed into NaH, Mg and Fe,\\nwhile NaMgH3 is also detected. By 400 1C NaH has decom-\\nposed, while only Mg and Fe are observable by PXD. Na is not\\nobserved due to the low vapor pressure of Na at elevated\\ntemperatures. No further changes to the material are observed\\nat higher\\ntemperatures. Therefore the decomposition of\\nNa2Mg2FeH8 is determined to occur according to eqn (5)–(7).\\n\\nNa2Mg2FeH8 - 2NaMgH3 + Fe + H2\\n\\n(1.3 wt%)\\n\\n2NaMgH3 + Fe - 2NaH + 2Mg + 2H2 + Fe\\n\\n(2.5 wt%)\\n\\n2NaH + 2Mg + Fe - 2Na + 2Mg + Fe + H2\\n\\n(1.3 wt%)\\n\\nNa2Mg2RuH8 was first heated to 320 1C, where PXD determined\\nthat decomposition has not yet started. By 420 1C full decom-\\nposition appears to be complete, with Mg3Ru2 and Ru being the\\nproducts. At this temperature, NaH instantly decomposes to Na\\nand evaporates from the sample. As a result, the decomposition\\nof Na2Mg2RuH8 is determined to occur according to eqn (8)\\nand (9). Presumably the excess Ru required to form Mg3Ru2\\n(without leaving excess Mg) comes from the excess Ru that\\nremained in the starting material.\\n\\nNa2Mg2RuH8\\n\\n- 2NaH + 2/3Mg3Ru2 + 3H2\\n\\n(3.0 wt%)\\n\\n2NaH + Mg3Ru2 - 2Na + Mg3Ru2 + H2\\n\\n(1.0 wt%)\\n\\nPCI analysis of Na2Mg2TH8 (T = Fe, Ru) (Fig. 3a and b) enables\\nthe intricacies of the decomposition process to be truly under-\\nstood. The experiments on Na2Mg2FeH8 were conducted at\\ninitial pressures of 30 MPa and 400 1C, mimicking conditions\\nused for synthesis. Consequently, it was ascertained that the\\nfirst thermal reaction according to eqn (5), occurs at an\\nequilibrium pressure of 15.5 MPa, releasing ca. 0.8 wt% H2 at\\n400 1C (Fig. 4a). PXD analysis of the products recovered at\\n6 MPa characterised the products to be NaMgH3 and Fe\\n(Fig. 3e). DHdec for this process was determined by means of\\na van’t Hoﬀ plot of H2 desorption equilibrium pressures and\\nthe linear fit (R2 = 0.975) to the data to be 93 kJ mol(cid:2)1 H2\\n(Fig. 3c), while the corresponding DSdec was calculated as\\n180 J mol(cid:2)1 H2/K. However, at lower temperatures this step is\\nkinetically hindered and as a result DH and DS may be obscured.\\nThe values reported above are an average of the plateau pressures.\\nThe further two equilibrium plateaus below 1 MPa H2 corre-\\nspond to the decomposition of NaMgH3, exhibiting mass losses\\nof 2.5 and 1.5 wt% for eqn (6) and (7), respectively. The overall\\n\\n(5)\\n\\n(6)\\n\\n(7)\\n\\n(8)\\n\\n(9)\\n\\nhydrogen content released was therefore determined to be\\n4.7 wt% at 400 1C (theoretical maximum of 5.1 wt%). DHdec\\nwas calculated to be 87 and 111 kJ mol(cid:2)1 H2 for the latter two\\nprocesses, in accord with the literature values.36 The corres-\\nponding DSdec also agreed with literature values with 132 and\\n158 J mol(cid:2)1 H2/K for eqn (6) and (7), respectively. Therefore\\nDHdes for the entire system is surmised to be 378 kJ mol(cid:2)1\\n(94.5 kJ mol(cid:2)1 H2). The identity of the species at each decom-\\nposition stage was determined by PXD by ending selected PCI\\nexperiments at specified pressures. Fig. 3e illustrates the final\\nproducts after the PCI experiments conducted at 360 and\\n400 1C and also those observed after the first and during the\\nsecond equilibrium step (eqn (6)). During the second equili-\\nbrium step, NaMgH3, Fe and NaH, and Mg are observed,\\nindicating that NaMgH3 is decomposing. After the third equili-\\nbrium (final products), Na, Mg and Fe are the main constituents,\\nalthough residual NaH is also observed. Therefore the decom-\\nposition process can be described according to eqn (5)–(7)\\nand Fig. 4.\\n\\nThe thermal stability of Na2Mg2FeH8 is enhanced compared\\nto that of Mg2FeH6, which exhibits a H2 desorption maxima at\\nca. 360 1C (Fig. 2) with an associated DHdes of 261 kJ mol(cid:2)1.29\\nThe additional stability achieved by the incorporation of Na+\\nand H(cid:2) into the compound, induces a significant increase in\\ndesorption temperature maxima to 400 1C and a total DHdes of\\n378 kJ mol(cid:2)1 (Fig. 4). This value correlates very well with the\\nprevious DFT calculations conducted on this compound, which\\ndetermined DHf to be (cid:2)328 kJ mol(cid:2)1.23\\n\\nIn contrast to Na2Mg2FeH8, Na2Mg2RuH8 is stable above\\npressures of 0.19 MPa H2 and T 4500 1C (Fig. 3a). PXD analysis\\nof material annealed at 6 MPa H2 and 450 1C (Fig. 3f) indicates\\nthat the only modification is the disappearance of the unknown\\nphase (observed after initial synthesis (Fig. 1)) which is replaced\\nby another unknown phase. This material can be indexed to an\\northorhombic unit cell of a = 14.5331, b = 7.9841 and c = 6.2429\\nand crystallises in a possible space group of Pmmn, although\\nstructural identification is inhibited by the low concentration\\nand weak intensity of the Bragg peaks. As was observed from\\nthe GC results (Fig. 1), decomposition is also noted to follow a\\ntwo-step decomposition route by PCI. At 500 1C, the first\\nplateau is observed at an equilibrium pressure of 0.19 MPa,\\nwhile the second occurs at ca. 0.07 MPa. Each step was\\ndetermined to have an associated mass loss of ca. 1.9 wt%,\\nwith a total of 3.8 wt% H2 being desorbed out of a maximum\\ntheoretical capacity of 4.0 wt%. This process was also carried\\nout at 475 and 450 1C. This allowed for DHdes and DS to be\\ndetermined to be 131 kJ mol(cid:2)1 H2 and 176 DS (J mol(cid:2)1 H2/K),\\nrespectively for step 1 (R2 = 0.984) and DHdes = 119 kJ mol(cid:2)1 H2\\nand DS = 151 DS (J mol(cid:2)1 H2/K) for step 2 (R2 = 0.999) (Fig. 3d).\\nTherefore DHdes for the entire system is surmised to be\\n500 kJ mol(cid:2)1 (125 kJ mol(cid:2)1 H2). PXD of the products at each stage\\nallows a greater insight into those determined by ex situ heating in\\nvacuo. After the first plateau, a substantial level of Mg2RuH4 is\\nidentifiable in the powder, along with Ru, NaOH and a small\\nquantity of Mg3Ru2. The highly oxidisable Na (residual after eva-\\nporation) is the source of NaOH (occurring during PXD analysis),\\n\\nThisjournalis©theOwnerSocieties2015Phys.Chem.Chem.Phys.,2015,17,8276--8282|8279Open Access Article. Published on 17 February 2015. Downloaded on 27/09/2015 14:04:46.  This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.View Article Online\\x0cPCCP\\n\\nPaper\\n\\nwhile the thermally unstable Mg2RuH4 is the source of Mg3Ru2.\\nAn unknown phase is also observed at this temperature and\\npressure, which due to the low intensity of the Bragg peaks\\nassociated with this material, indexing and as such, structural\\nrefinement was not possible. After the second plateau, the\\nremaining powder consists of Mg3Ru2 and Ru. Presumably\\nthe excess Ru required to form Mg3Ru2 (without leaving excess\\nMg) comes from the excess Ru that remains in the starting\\n\\nmaterial (Fig. 1). Therefore the decomposition process can be\\ndescribed according to eqn (10) and (11) and Fig. 4.\\n\\nNa2Mg2RuH8\\n\\n- 2Na + Mg2RuH4 + 2H2\\n\\n(2.0 wt% H2)\\n\\n(10)\\n\\nMg2RuH4 + 2Na - Mg3Ru2 + 2Na + 2H2\\n\\n(2.0 wt% H2)\\n\\n(11)\\n\\nThe decomposition pathway of these materials diﬀer signifi-\\ncantly in that NaMgH3 is the intermediate for Na2Mg2FeH8,\\n\\nFig. 3 PCI analysis of Na2Mg2FeH8 (a) and Na2Mg2RuH8 (b) at selected temperatures. van’t Hoﬀ plot of H2 desorption equilibrium pressures and the\\nlinear fit to the data for Na2Mg2FeH8 (c) and Na2Mg2RuH8 (d). Ex situ PXD analysis of Na2Mg2FeH8 (S1) (e) and Na2Mg2RuH8 (S3) (f) for samples collected\\nafter PCI analysis and after rehydrogenation (l = CuKa). * = Na2Mg2TH8 (T = Fe, Ru); # = Mg2FeH6; @ = NaH; x = T (Fe, Ru); $ = NaMgH3; ^ = NaOH; + =\\nMg; D = Na; a = Mg3Ru2; d = Mg2RuH4; ! = unknown phase; y = unknown phase; g = unknown phase; e = unknown phase.\\n\\n8280|Phys.Chem.Chem.Phys.,2015,17,8276--8282Thisjournalis©theOwnerSocieties2015Open Access Article. Published on 17 February 2015. Downloaded on 27/09/2015 14:04:46.  This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.View Article Online\\x0cPaper\\n\\nPCCP\\n\\nNa2Mg2FeH8 is 95 kJ mol(cid:2)1 H2 and 125 kJ mol(cid:2)1 H2 for\\nNa2Mg2RuH8.\\n\\nAcknowledgements\\n\\nWe would like to acknowledge Ms. Warifune for the synthesis of\\nthe Mg2FeH6 starting material. We also appreciate the financial\\nsupport from JSPS KAKENHI Grant Number 25220911.\\n\\nFig. 4 Energy diagram illustrating the experimentally determined enthal-\\npies of formation (DHform kJ mol(cid:2)1) of Na2Mg2FeH8, Mg2FeH6,29 and\\nNa2Mg2RuH8. The excess Ru required to form Mg3Ru2 is acquired from\\nthe impurity Ru remaining in the Na2Mg2RuH8 starting material.\\n\\nNotes and references\\n\\n4n(cid:2), [RuH5]av\\n\\nwhile Na2Mg2RuH8 disassembles via Mg2RuH4 (Fig. 4). The\\nversatile 4d Ru metal center is known to form a variety of\\ncomplex anions including [Ru2H6]12(cid:2), [RuH4]n\\n5(cid:2),\\n[RuH6]4(cid:2) and [RuH7]3(cid:2), while the 3d Fe metal center is only\\nknown to form [FeH6]4(cid:2) anions.1 As a consequence, Na2Mg2RuH8\\n4n(cid:2) polyanionic intermediate upon decom-\\nforms the [RuH4]n\\nposition,37 whereas Na2Mg2FeH8 preferentially decomposes to\\n36 rather than Mg2FeH6 (Fig. 4).\\nthe thermally stable NaMgH3\\nMg2RuH4 was not observed during the ex situ heating experi-\\nments of Na2Mg2RuH8 (Fig. 2e) as it is not thermodynamically\\nstable at the temperatures at which Na2Mg2RuH8 decomposes\\n(420 1C, in vacuo).37 Although, the synthesis of Mg2RuH4 is\\naccomplished at 450 1C under 0.2 MPa H2, it would presumably\\ndecompose at the temperatures imposed here, especially in\\nvacuo. Stabilisation of this species is therefore viable under H2\\npressures of 0.05–0.02 MPa.\\n\\nConclusions\\n\\nThe optimised syntheses of Na2Mg2TH8 (T = Fe, Ru) have been\\nreported. Ball milling of stoichiometric quantities of NaH, MgH2\\nand Fe followed by hydrogenation allows for a yield of 490%\\npurity of Na2Mg2FeH8 via the formation of a NaMgH3 intermediate.\\nOn the contrary, no intermediate is observed during the synthesis\\nof Na2Mg2RuH8 using an identical procedure.\\n\\nThe thermal decomposition of both Na2Mg2TH8 materials\\nhave been studied by ex situ PXD, GC and PCI measurements.\\nThe first desorption maxima of Na2Mg2FeH8 has been estab-\\nlished to occur at ca. 400 1C, while Na2Mg2RuH8 has its first\\nmaxima at 420 1C. The decomposition pathways of these\\nisostructural compounds diﬀers considerably, with Na2Mg2-\\nFeH8 proceeding via NaMgH3 in a three-step process, while\\nNa2Mg2RuH8 decomposes via Mg2RuH4 in a two-step process.\\nThe dissimilarity between the pathways originates from the cap-\\nability of the 4d Ru metal centre to exist in a variety of [RuHx]n(cid:2)\\ncomplexes compared to Fe, which only exists as [FeH6]4(cid:2).\\n\\nThe enthalpy and entropy of desorption for Na2Mg2TH8\\n(T = Fe, Ru) for each stage of decomposition has been established\\nto be by PCI measurements. The total enthalpy of desorption for\\n\\n1 K. Yvon and G. Renaudin, Encyclopedia of Inorganic Chemistry,\\n\\nJohn Wiley & Sons, Ltd, 2006.\\n\\n2 K. Yvon, Chimia, 1998, 52, 613–619.\\n3 J. J. Reilly and R. H. Wiswall,\\n\\nInorg. Chem., 1968, 7,\\n\\n4 H. Blomqvist and D. Nore´us,\\n\\nJ. Appl. Phys., 2002, 91,\\n\\n2254–2256.\\n\\n5141–5148.\\n\\n5 M. Lelis, D. Milcius, E. Wirth, U. Halenius, L. Eriksson,\\nK. Jansson, K. Kadir, J. Ruan, T. Sato, T. Yokosawa and\\nD. Nore´us, J. Alloys Compd., 2010, 496, 81–86.\\n\\n6 R. J. Westerwaal, M. Slaman, C. P. Broedersz, D. M. Borsa,\\nB. Dam, R. Griessen, A. Borgschulte, W. Lohstroh, B. Kooi,\\nG. ten Brink, K. G. Tschersich and H. P. Fleischhauer,\\nJ. Appl. Phys., 2006, 100, 063518.\\n\\n7 T. J. Richardson, J. L. Slack, R. D. Armitage, R. Kostecki,\\nB. Farangis and M. D. Rubin, Appl. Phys. Lett., 2001, 78,\\n3047–3049.\\n\\n8 M. Polanski, T. K. Nielsen, Y. Cerenius, J. Bystrzycki and\\nT. R. Jensen, Int. J. Hydrogen Energy, 2010, 35, 3578–3582.\\n9 M. Polanski, K. Witek, T. K. Nielsen, L. Jaroszewicz and\\nJ. Bystrzycki, Int. J. Hydrogen Energy, 2013, 38, 2785–2789.\\n10 J. J. Didisheim, P. Zolliker, K. Yvon, P. Fischer, J. Schefer,\\nM. Gubelmann and A. F. Williams, Inorg. Chem., 1984, 23,\\n1953–1957.\\n\\n11 G. Li, M. Matsuo, S. Deledda, R. Sato, B. C. Hauback and\\n\\nS. Orimo, Mater. Trans., 2013, 54, 1532–1534.\\n\\n12 T. J. Richardson, J. L. Slack, B. Farangis and M. D. Rubin,\\n\\nAppl. Phys. Lett., 2002, 80, 1349–1351.\\n\\n13 B. Bogdanovic´, A. Reiser, K. Schlichte, B. Spliethoﬀ and\\n\\nB. Tesche, J. Alloys Compd., 2002, 345, 77–89.\\n\\n14 S. F. Parker, K. P. J. Williams, M. Bortz and K. Yvon, Inorg.\\n\\nChem., 1997, 36, 5218–5221.\\n\\n15 B. Huang, K. Yvon and P. Fischer, J. Alloys Compd., 1995,\\n\\n16 B. Huang, F. Gingl, F. Fauth, A. Hewat and K. Yvon, J. Alloys\\n\\n227, 121–124.\\n\\nCompd., 1997, 248, 13–17.\\n\\n17 B. Huang, K. Yvon and P. Fischer, J. Alloys Compd., 1994,\\n\\n18 G. Renaudin, L. Guenee and K. Yvon, J. Alloys Compd., 2003,\\n\\n19 M. Orlova, J.-P. Rapin and K. Yvon, Inorg. Chem., 2009, 48,\\n\\n204, 5–8.\\n\\n350, 145–150.\\n\\n5052–5054.\\n\\nThisjournalis©theOwnerSocieties2015Phys.Chem.Chem.Phys.,2015,17,8276--8282|8281Open Access Article. Published on 17 February 2015. Downloaded on 27/09/2015 14:04:46.  This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.View Article Online\\x0cPCCP\\n\\nPaper\\n\\n20 T. D. Humphries, S. Takagi, G. Li, M. Matsuo, T. Sato,\\nM. H. Sørby, S. Deledda, B. C. Hauback and S. Orimo,\\nJ. Alloys Compd., 2015, DOI: 10.1016/j.jallcom.2014.12.113.\\n21 M. Matsuo, H. Saitoh, A. Machida, R. Sato, S. Takagi,\\nK. Miwa, T. Watanuki, Y. Katayama, K. Aoki and S. Orimo,\\nRSC Adv., 2013, 3, 1013–1016.\\n\\n22 H. Saitoh, S. Takagi, M. Matsuo, Y. Iijima, N. Endo, K. Aoki\\n\\nand S. Orimo, APL Mater., 2014, 2, 076103.\\n\\n23 S. Takagi, T. D. Humphries, K. Miwa and S. Orimo,\\n\\n29 J. A. Puszkiel, P. Arneodo Larochette and F. C. Gennari,\\n\\nJ. Alloys Compd., 2008, 463, 134–142.\\n\\n30 A. Boultif and D. Louer, J. Appl. Crystallogr., 2004, 37, 724–731.\\n31 J. Laugier and B. Bochu, LMGP-Suite Suite Programs Inter-\\npret. X-ray Exp. by Jean laugier Bernard Bochu, ENSP/\\nLaboratoire des Mate´riaux du Ge´nie Phys. BP 46. 38042\\nSaint Martin d’He`res, Fr.\\n\\n32 B. H. Toby, J. Appl. Crystallogr., 2001, 34, 210–213.\\n33 A. C. Larson and R. B. Von Dreele, Los Alamos National\\n\\nAppl. Phys. Lett., 2014, 104, 203901.\\n\\nLaboratory Report, 2000, LAUR 86-748.\\n\\n24 M. Di Chio, L. Schiﬃni, S. Enzo, G. Cocco and M. Baricco,\\n\\n34 B. E. Warren, X-ray Diﬀraction, Courier Dover Publications,\\n\\nJ. Alloys Compd., 2007, 434, 734–737.\\n\\n1969.\\n\\n25 K. Kadir and D. Nore´us, Inorg. Chem., 2007, 46, 3288–3289.\\n26 B. Huang, K. Yvon and P. Fischer, J. Alloys Compd., 1992,\\n\\n2013, 23, 343–350.\\n\\n35 H. Reardon, N. Mazur and D. H. Gregory, Prog. Nat. Sci.,\\n\\n27 B. Huang, K. Yvon and P. Fischer, J. Alloys Compd., 1992,\\n\\nMater., 2011, 23, 4298–4300.\\n\\n28 B. Huang, K. Yvon and P. Fischer, J. Alloys Compd., 1993,\\n\\n36 D. A. Sheppard, M. Paskevicius and C. E. Buckley, Chem.\\n\\n37 F. Bonhomme, K. Yvon, G. Triscone, K. Jansen, G. Auﬀermann,\\nP. Mu¨ller, W. Bronger and P. Fischer, J. Alloys Compd., 1992,\\n178, 161–166.\\n\\n187, 227–232.\\n\\n190, 65–68.\\n\\n197, 65–68.\\n\\n8282|Phys.Chem.Chem.Phys.,2015,17,8276--8282Thisjournalis©theOwnerSocieties2015Open Access Article. Published on 17 February 2015. Downloaded on 27/09/2015 14:04:46.  This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.View Article Online\\x0c'"
            ],
            "application/vnd.google.colaboratory.intrinsic+json": {
              "type": "string"
            }
          },
          "metadata": {},
          "execution_count": 4
        }
      ],
      "source": [
        "text = pdf.get_text()\n",
        "text"
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "import re\n",
        "\n",
        "# Find the indices of the words \"Experimental\" and \"Results\"\n",
        "experimental_index = text.index(\"Experimental\")\n",
        "results_index = text.index(\"Results\")\n",
        "\n",
        "# Extract the words between the two indices\n",
        "words_between = text[experimental_index + len(\"Experimental\") + 1:results_index]\n",
        "\n",
        "# Split the extracted text into words\n",
        "words_between = words_between\n",
        "\n",
        "# Print the words\n",
        "print(words_between)\n"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "XEE5KcjYyYY-",
        "outputId": "ddf13720-4eb0-41a9-e24e-d7371686f1a5"
      },
      "execution_count": 6,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "\n",
            "All preparation and manipulation was performed in a Miwa\n",
            "glove box filled with purified argon (o1 ppm O2 and the dew\n",
            "point of H2O below 190 K) to avoid contamination.\n",
            "\n",
            "The synthesis of Na2Mg2FeH8 was carried out by two methods:\n",
            "S1 followed a four step process, which first required the synthesis\n",
            "of Mg2FeH6. This was achieved by mechanically milling (Fritsch\n",
            "Pulverisette 7) MgH2 (hydrogen storage grade, Sigma Aldrich) and\n",
            "Fe (99.99%, Mitsuwa) powders at a molar ratio of 2 : 1 for 2 h at\n",
            "400 rpm (ball-to-powder ratio 40 : 1), under argon with subsequent\n",
            "heat treatment of the pelletised powder at 400 1C for 20 h under\n",
            "3 MPa H2. The resultant olive green powder was then mechani-\n",
            "cally milled with NaH (95%, Sigma Aldrich) at a molar ratio of\n",
            "1 : 2 for 20 h under argon (S1-BM) with subsequent heat\n",
            "treatment of the pelletised powder at 400 1C for 20 h under\n",
            "30 MPa H2. The product was yielded as an olive green powder.\n",
            "The synthesis of S2 (Na2Mg2FeH8) followed a two-step pro-\n",
            "cess. NaH, MgH2 and Fe powders at a molar ratio of 2 : 2 : 1 were\n",
            "mechanically milled for 20 h at 400 rpm (ball-to-powder ratio\n",
            "40 : 1), under argon (S2-BM) with subsequent heat treatment of\n",
            "the pelletised powder at 400 1C for 60 h under 30 MPa H2. The\n",
            "product was yielded as an olive green powder.\n",
            "\n",
            "The synthesis of Na2Mg2RuH8 followed a two-step process.\n",
            "MgH2, NaH and Ru (99.9%, Kojundo Chemical Laboratory)\n",
            "were mechanically milled (identical parameters as employed\n",
            "with Na2Mg2FeH8) at a molar ratio of 2 : 2 : 1 for 20 h under\n",
            "argon (S3-BM), before subsequent heat treatment of the pelletised\n",
            "powder at 500 1C for 20 h under 30 MPa H2. The product was\n",
            "yielded as a light grey powder.\n",
            "\n",
            "Powder X-ray diﬀraction (PXD) measurements were con-\n",
            "ducted using a conventional X-ray diﬀractometer (Lab-PXD,\n",
            "PANalytical X’Pert-Pro, CuKa radiation) in flat plate mode. Data\n",
            "were collected using a X’Celerator X linear position sensitive\n",
            "detector within a 2y range of 10–901 using 0.021 steps at 0.041/s\n",
            "with X-ray generator operating conditions of 45 kV and 40 mA.\n",
            "The PXD samples were loaded in an Ar glovebox and the sample\n",
            "holder covered by Mylar film to prevent oxygen/moisture con-\n",
            "tamination during data collection. PANalytical HighScore Plus\n",
            "v. 3.0, DICVOL,30 CHEKCELL31 and GSAS32,33 were used for\n",
            "phase identification, indexing, space group identification and\n",
            "Rietveld refinement, respectively.\n",
            "\n",
            "A GC323 (Gas Chromatography) (GL sciences Inc.) was used\n",
            "to detect the desorbed H2 by means of a TCD detector, with a\n",
            "column temperature of 200 1C. Samples were heated at a rate of\n",
            "5 1C min(cid:2)1 under an Ar flow of 40 ml min(cid:2)1.\n",
            "\n",
            "Typical Pressure-Composition Isotherm Measurements\n",
            "(PCI) were conducted inside custom-built manometric appara-\n",
            "tus, where the sample cell was placed in a furnace and heated\n",
            "to the desired temperature at a hydrogen pressure of 6 MPa or\n",
            "30 MPa. The experiment was controlled by software developed\n",
            "by Suzuki Shokan Co., Ltd.\n",
            "\n",
            "\n"
          ]
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "# prompt: create a dataframe and store the PDF name and the words_between but rename the words_between column as Experimental section\n",
        "import pandas as pd\n",
        "df = pd.DataFrame({'PDF Name': ['1.pdf'], 'Experimental Section': [words_between]})\n",
        "df"
      ],
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 560
        },
        "id": "PpISGU4DyzKe",
        "outputId": "a86bd13f-2f5b-4080-e41c-e46bc193a7a2"
      },
      "execution_count": 7,
      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "  PDF Name                               Experimental Section\n",
              "0    1.pdf  \\nAll preparation and manipulation was perform..."
            ],
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              "\n",
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              "      <th>Experimental Section</th>\n",
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              "summary": "{\n  \"name\": \"df\",\n  \"rows\": 1,\n  \"fields\": [\n    {\n      \"column\": \"PDF Name\",\n      \"properties\": {\n        \"dtype\": \"string\",\n        \"num_unique_values\": 1,\n        \"samples\": [\n          \"1.pdf\"\n        ],\n        \"semantic_type\": \"\",\n        \"description\": \"\"\n      }\n    },\n    {\n      \"column\": \"Experimental Section\",\n      \"properties\": {\n        \"dtype\": \"string\",\n        \"num_unique_values\": 1,\n        \"samples\": [\n          \"\\nAll preparation and manipulation was performed in a Miwa\\nglove box filled with purified argon (o1 ppm O2 and the dew\\npoint of H2O below 190 K) to avoid contamination.\\n\\nThe synthesis of Na2Mg2FeH8 was carried out by two methods:\\nS1 followed a four step process, which first required the synthesis\\nof Mg2FeH6. This was achieved by mechanically milling (Fritsch\\nPulverisette 7) MgH2 (hydrogen storage grade, Sigma Aldrich) and\\nFe (99.99%, Mitsuwa) powders at a molar ratio of 2 : 1 for 2 h at\\n400 rpm (ball-to-powder ratio 40 : 1), under argon with subsequent\\nheat treatment of the pelletised powder at 400 1C for 20 h under\\n3 MPa H2. The resultant olive green powder was then mechani-\\ncally milled with NaH (95%, Sigma Aldrich) at a molar ratio of\\n1 : 2 for 20 h under argon (S1-BM) with subsequent heat\\ntreatment of the pelletised powder at 400 1C for 20 h under\\n30 MPa H2. The product was yielded as an olive green powder.\\nThe synthesis of S2 (Na2Mg2FeH8) followed a two-step pro-\\ncess. NaH, MgH2 and Fe powders at a molar ratio of 2 : 2 : 1 were\\nmechanically milled for 20 h at 400 rpm (ball-to-powder ratio\\n40 : 1), under argon (S2-BM) with subsequent heat treatment of\\nthe pelletised powder at 400 1C for 60 h under 30 MPa H2. The\\nproduct was yielded as an olive green powder.\\n\\nThe synthesis of Na2Mg2RuH8 followed a two-step process.\\nMgH2, NaH and Ru (99.9%, Kojundo Chemical Laboratory)\\nwere mechanically milled (identical parameters as employed\\nwith Na2Mg2FeH8) at a molar ratio of 2 : 2 : 1 for 20 h under\\nargon (S3-BM), before subsequent heat treatment of the pelletised\\npowder at 500 1C for 20 h under 30 MPa H2. The product was\\nyielded as a light grey powder.\\n\\nPowder X-ray di\\ufb00raction (PXD) measurements were con-\\nducted using a conventional X-ray di\\ufb00ractometer (Lab-PXD,\\nPANalytical X\\u2019Pert-Pro, CuKa radiation) in flat plate mode. Data\\nwere collected using a X\\u2019Celerator X linear position sensitive\\ndetector within a 2y range of 10\\u2013901 using 0.021 steps at 0.041/s\\nwith X-ray generator operating conditions of 45 kV and 40 mA.\\nThe PXD samples were loaded in an Ar glovebox and the sample\\nholder covered by Mylar film to prevent oxygen/moisture con-\\ntamination during data collection. PANalytical HighScore Plus\\nv. 3.0, DICVOL,30 CHEKCELL31 and GSAS32,33 were used for\\nphase identification, indexing, space group identification and\\nRietveld refinement, respectively.\\n\\nA GC323 (Gas Chromatography) (GL sciences Inc.) was used\\nto detect the desorbed H2 by means of a TCD detector, with a\\ncolumn temperature of 200 1C. Samples were heated at a rate of\\n5 1C min(cid:2)1 under an Ar flow of 40 ml min(cid:2)1.\\n\\nTypical Pressure-Composition Isotherm Measurements\\n(PCI) were conducted inside custom-built manometric appara-\\ntus, where the sample cell was placed in a furnace and heated\\nto the desired temperature at a hydrogen pressure of 6 MPa or\\n30 MPa. The experiment was controlled by software developed\\nby Suzuki Shokan Co., Ltd.\\n\\n\"\n        ],\n        \"semantic_type\": \"\",\n        \"description\": \"\"\n      }\n    }\n  ]\n}"
            }
          },
          "metadata": {},
          "execution_count": 7
        }
      ]
    },
    {
      "source": [
        "import pdfx\n",
        "import re\n",
        "import pandas as pd\n",
        "# Define the starting number and the arbitrary ending number.\n",
        "start_num = 1\n",
        "end_num = 140\n",
        "# Create an empty list to store the file names.\n",
        "pdf_list = []\n",
        "# Loop through the range of numbers and create file names.\n",
        "for num in range(start_num, end_num + 1):\n",
        "    file_name = str(num) + \".pdf\"\n",
        "    pdf_list.append(file_name)\n",
        "\n",
        "print(pdf_list)\n",
        "#pdf_list = ['1.pdf', '2.pdf', '3.pdf']\n",
        "df = pd.DataFrame()\n",
        "\n",
        "error_pdfs = []\n",
        "\n",
        "for pdf_name in pdf_list:\n",
        "    try:\n",
        "        pdf = pdfx.PDFx(pdf_name)\n",
        "        text = pdf.get_text()\n",
        "\n",
        "        experimental_index = text.index(\"Experimental\")\n",
        "        results_index = text.index(\"Results\")\n",
        "\n",
        "        words_between = text[experimental_index + len(\"Experimental\") + 1:results_index]\n",
        "        words_between = words_between\n",
        "\n",
        "        df_temp = pd.DataFrame({'PDF Name': [pdf_name], 'Experimental Section': [words_between]})\n",
        "        df = pd.concat([df, df_temp], ignore_index=True)\n",
        "    except Exception as e:\n",
        "        print(f\"Error processing file '{pdf_name}': {e}\")\n",
        "        error_pdfs.append(pdf_name)\n",
        "        continue"
      ],
      "cell_type": "code",
      "metadata": {
        "colab": {
          "base_uri": "https://localhost:8080/"
        },
        "id": "N-rE6s8R1Crt",
        "outputId": "73d22871-6eaf-498c-fb6f-1d388b9bbd66"
      },
      "execution_count": 17,
      "outputs": [
        {
          "output_type": "stream",
          "name": "stdout",
          "text": [
            "['1.pdf', '2.pdf', '3.pdf', '4.pdf', '5.pdf', '6.pdf', '7.pdf', '8.pdf', '9.pdf', '10.pdf', '11.pdf', '12.pdf', '13.pdf', '14.pdf', '15.pdf', '16.pdf', '17.pdf', '18.pdf', '19.pdf', '20.pdf', '21.pdf', '22.pdf', '23.pdf', '24.pdf', '25.pdf', '26.pdf', '27.pdf', '28.pdf', '29.pdf', '30.pdf', '31.pdf', '32.pdf', '33.pdf', '34.pdf', '35.pdf', '36.pdf', '37.pdf', '38.pdf', '39.pdf', '40.pdf', '41.pdf', '42.pdf', '43.pdf', '44.pdf', '45.pdf', '46.pdf', '47.pdf', '48.pdf', '49.pdf', '50.pdf', '51.pdf', '52.pdf', '53.pdf', '54.pdf', '55.pdf', '56.pdf', '57.pdf', '58.pdf', '59.pdf', '60.pdf', '61.pdf', '62.pdf', '63.pdf', '64.pdf', '65.pdf', '66.pdf', '67.pdf', '68.pdf', '69.pdf', '70.pdf', '71.pdf', '72.pdf', '73.pdf', '74.pdf', '75.pdf', '76.pdf', '77.pdf', '78.pdf', '79.pdf', '80.pdf', '81.pdf', '82.pdf', '83.pdf', '84.pdf', '85.pdf', '86.pdf', '87.pdf', '88.pdf', '89.pdf', '90.pdf', '91.pdf', '92.pdf', '93.pdf', '94.pdf', '95.pdf', '96.pdf', '97.pdf', '98.pdf', '99.pdf', '100.pdf', '101.pdf', '102.pdf', '103.pdf', '104.pdf', '105.pdf', '106.pdf', '107.pdf', '108.pdf', '109.pdf', '110.pdf', '111.pdf', '112.pdf', '113.pdf', '114.pdf', '115.pdf', '116.pdf', '117.pdf', '118.pdf', '119.pdf', '120.pdf', '121.pdf', '122.pdf', '123.pdf', '124.pdf', '125.pdf', '126.pdf', '127.pdf', '128.pdf', '129.pdf', '130.pdf', '131.pdf', '132.pdf', '133.pdf', '134.pdf', '135.pdf', '136.pdf', '137.pdf', '138.pdf', '139.pdf', '140.pdf']\n",
            "Error processing file '8.pdf': unbound prefix: line 4, column 0\n",
            "Error processing file '9.pdf': substring not found\n",
            "Error processing file '15.pdf': substring not found\n",
            "Error processing file '17.pdf': substring not found\n",
            "Error processing file '22.pdf': substring not found\n",
            "Error processing file '26.pdf': substring not found\n",
            "Error processing file '31.pdf': substring not found\n",
            "Error processing file '35.pdf': substring not found\n",
            "Error processing file '42.pdf': substring not found\n",
            "Error processing file '47.pdf': 'charmap' codec can't decode byte 0x90 in position 47: character maps to <undefined>\n",
            "Error processing file '48.pdf': substring not found\n",
            "Error processing file '56.pdf': substring not found\n",
            "Error processing file '57.pdf': substring not found\n",
            "Error processing file '60.pdf': 'charmap' codec can't decode byte 0x90 in position 50: character maps to <undefined>\n",
            "Error processing file '61.pdf': substring not found\n",
            "Error processing file '66.pdf': substring not found\n",
            "Error processing file '75.pdf': substring not found\n",
            "Error processing file '83.pdf': substring not found\n",
            "Error processing file '87.pdf': 'NoneType' object has no attribute 'get_data'\n",
            "Error processing file '89.pdf': 'NoneType' object has no attribute 'findall'\n",
            "Error processing file '90.pdf': substring not found\n",
            "Error processing file '93.pdf': substring not found\n",
            "Error processing file '94.pdf': substring not found\n",
            "Error processing file '99.pdf': substring not found\n",
            "Error processing file '113.pdf': substring not found\n",
            "Error processing file '117.pdf': substring not found\n",
            "Error processing file '126.pdf': substring not found\n",
            "Error processing file '127.pdf': 'NoneType' object has no attribute 'findall'\n",
            "Error processing file '131.pdf': substring not found\n",
            "Error processing file '134.pdf': substring not found\n",
            "Error processing file '138.pdf': 'utf-8' codec can't decode byte 0xfc in position 127: invalid start byte\n",
            "Error processing file '140.pdf': unbound prefix: line 4, column 0\n"
          ]
        }
      ]
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    {
      "cell_type": "code",
      "source": [
        "df"
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          "height": 424
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        "id": "LGxj9DCezUEP",
        "outputId": "b0c84376-d290-4e4c-e88e-a569b4f21adf"
      },
      "execution_count": 18,
      "outputs": [
        {
          "output_type": "execute_result",
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              "    PDF Name                               Experimental Section\n",
              "0      1.pdf  \\nAll preparation and manipulation was perform...\n",
              "1      2.pdf  \\n(Alfa Aesar, 98%), KBH4(Alfa Aesar, 98%) and...\n",
              "2      3.pdf  y and theoretically performance\\ninvestigation...\n",
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              "..       ...                                                ...\n",
              "103  133.pdf  and theoretical studies on static and\\ndynamic...\n",
              "104  135.pdf  \\nThe materials were prepared by mechanical al...\n",
              "105  136.pdf  \\nAll samples were synthesized by melting high...\n",
              "106  137.pdf  \\nFig. 1 shows the schematic diagram of an exp...\n",
              "107  139.pdf  details\\n\\nAs-cast CoFeMnTixVZr, CoFeMnTiVyZr,...\n",
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              "[108 rows x 2 columns]"
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              "      <th>PDF Name</th>\n",
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              "      <th>103</th>\n",
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              "            title=\"Convert this dataframe to an interactive table.\"\n",
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              "summary": "{\n  \"name\": \"df\",\n  \"rows\": 108,\n  \"fields\": [\n    {\n      \"column\": \"PDF Name\",\n      \"properties\": {\n        \"dtype\": \"string\",\n        \"num_unique_values\": 108,\n        \"samples\": [\n          \"102.pdf\",\n          \"13.pdf\",\n          \"5.pdf\"\n        ],\n        \"semantic_type\": \"\",\n        \"description\": \"\"\n      }\n    },\n    {\n      \"column\": \"Experimental Section\",\n      \"properties\": {\n        \"dtype\": \"string\",\n        \"num_unique_values\": 95,\n        \"samples\": [\n          \"\\nSamples reduced to powders were produced by magnetron\\nco-sputtering of Mg and Ni, assisted with Ar\\u00fe ions. Each alloy\\nwas deposited on a glass substrate with a deposition time of\\n2 h. The synthesis parameters are given in Table 1. Four\\nsamples were deposited keeping the same Mg magnetron\\nintensity (IMg) while altering the Ni magnetron intensity (INi),\\nand consequently the global Ni content in the layer. The last\\n\\nsample was obtained by using a mid-value for INi and by\\ndecreasing the IMg to the same level.\\n\\nThe as-produced delaminated \\ufb02akes from \\ufb01lms were after-\\nwards manually crushed to produce coarse powders of one\\ngram in weight. The powders were then analysed by X-ray\\npowder diffraction (XRD, y=2y setting with Copper Ka radia-\\ntion, Philips Analytical X\\u2019pert) and by scanning electron\\nmicroscopy (SEM, Leo Supra 50) equipped with X-ray energy\\ndispersive spectroscopy (EDS,\\nInca Oxford Instruments).\\nSubsequently the samples were loaded on a volumetric\\nautomated gas reaction controller (GRC, commercial instru-\\nment built by Advanced Materials Corporation, Pittsburgh,\\nUSA), for hydrogen activation and for performing sorption\\nmeasurements.\\n\\nThe activation procedure started with out-gassing during\\n12 h at 473 K and was followed by a number of soak/release\\ncycles. During soak the sample chamber was \\ufb01lled with\\nhydrogen at 30.4 bar for 90 min at 573 K, whereas during the\\nrelease mode the chamber was maintained at 573 K for 60 min\\nunder vacuum (1:2 (cid:2) 10(cid:3)2 mbar). Full activation was consid-\\nered achieved when the hydrogen storage of the sample\\nstabilises over three consecutive cycles. The required number\\nof cycles for full activation, for each sample, is given in\\nTable 2.\\n\\nFollowing\\n\\nactivation,\\n\\npressure-composition-isotherms\\n(PCIs) were acquired at \\ufb01ve different temperatures, (513, 543,\\n573, 603 and 623 K), at a maximum pressure of 20.3 bar. At the\\nend of the absorption/desorption runs, the samples were\\nagain microscopically analysed by XRD and SEM. The\\nenthalpy of dissociation of the hydrides was determined by\\nthe construction of the van\\u2019t Hoff plots.\\n\\n3.\\n\\n\",\n          \"details\\n\\nA nanostructured MgH2/0.1TiH2 composite was prepared by\\nball milling under high hydrogen pressure. Therefore\\na mixture of Mg (99.8% purity, (cid:3)325 mesh, Alfa Aesar) and\\n0.1Ti (99.98%, (cid:3)325 mesh, SigmaeAldrich) with a total weight\\nof 2 g was ball milled for 20 h under an initial hydrogen\\npressure of 30 MPa, with a rotation speed of 400 rpm. Milling\\nwas stopped for 30 min after 10 h milling in order to prevent\\noverheating. For milling, a commercial planetary ball mill\\nPULVERISETTE 6 from Fritsch was used. The milling vessel\\nwas home-made, equipped with a telemetric system to\\nmeasure the pressure inside the vessel during the milling\\nprocess [27,28]. Seven stainless steel balls with a diameter of\\n15 mm were used. The total weight of the balls was 100 g\\nresulting in a ball-to-sample ratio of 50:1.\\n\\nThe X-ray diffraction patterns for qualitative and quanti-\\ntative analysis were collected on a Stoe STADI P transmission\\ndiffractometer in Debye-Scherrer geometry (Mo Ka1: 0.70930A\\u02da )\\nwith a primary monochromator and a linear position sensitive\\ndetector. For the measurements, the samples were \\ufb01lled into\\nglass capillaries under argon and the capillaries were sealed to\\nprevent exposure to air before the measurements. The\\nobtained XRD patterns were evaluated by comparison with\\nentries in the PDF-2 powder pattern database. The crystallite\\nsize was determined by the program TOPAS [29].\\n\\nand to\\n\\nTo study the thermodynamics and desorption properties of\\ncompare with\\nMgH2/0.1TiH2 nano-composite\\ncommercial MgH2 sample (98%, Alfa), Thermogravimetry-\\nDifferential Scanning Calorimetry (TG-DSC) experiments\\nwere performed using a TGA/DSC1 STAR system (METTLER\\nTOLEDO). The temperature program was set up from 40 to\\n(cid:3)1. During the\\n550 (cid:1)C with a heating rate of 10 K min\\n(cid:3)1 was\\nmeasurements, an argon \\ufb02ow with a rate of 50 ml min\\napplied. The weighing and loading of the sample into the\\nmeasuring system were conducted under argon protection.\\n\\nHydrogen absorption and pressure-composition isotherm\\n(PCI) measurements were conducted on an automatic appa-\\nratus PCTPro-2000 from Hy-Energy LLC Company. After\\ndesorption, the hydrogen absorption curves of the dehydro-\\ngenated MgH2/0.1TiH2 nano-composite sample at 300, 200, 100\\nand 40 (cid:1)C, under an initial hydrogen pressure of 1 MPa were\\nmeasured. The PCI measurements for the MgH2/0.1TiH2\\nnano-composite sample were performed at 269, 280, 289 and\\n301 (cid:1)C, while the PCI measurements for the commercial MgH2\\nsample were conducted at 330, 352 and 370 (cid:1)C. An amount of\\n0.3e0.5 g of the composite was used for each PCI measure-\\nment. The reservoir volume was ca. 12 ml and the sample\\nholder free space was ca. 13 ml. The maximum time for each\\naliquot was 100 min. The pressure change applied to the\\nreservoir volume between dosing each aliquot was 0.1 MPa.\\n\\nFig. 1 e Hydrogen pressure vs. milling time during the high\\npressure ball milling process of Mg and Ti power mixture\\nunder an initial hydrogen pressure of 30 MPa.\\n\\na fast hydrogen absorption reaction of the Mg \\u00fe 0.1Ti\\nmixture during the high pressure milling. After 2.5 h\\nmilling, the hydrogen pressure decreased with a much\\nslower rate. At this point, the hydrogen adsorption process\\nwas almost completed. For further reduction of the crys-\\ntallite size of the composite sample, the milling process\\nwas continued up to 20 h. After 10 h, milling was inter-\\nrupted for ca. 30 min to prevent overheating inside.\\n\\nFig. 2(a) shows the X-ray diffraction pattern of\\nthe\\ncomposite sample after the milling process. Only two phases -\\nMgH2 (1074-0934, tetragonal) and TiH2 (1071-4960, cubic) can\\nbe observed. There is no unreacted Mg or Ti metal from the\\nstarting material, which agrees with the result from Fig. 1\\n\\n3.\\n\\n\",\n          \"measurements\\n\\n2.1. Description of the setup\\n\\nThe experimental details and procedure for dynamic PCI measurements were\\ngiven in detail in the recent paper by the authors [6]. The amount of hydrogen\\nabsorbed or desorbed is calculated by mass balance using ideal gas equation. The\\namount of hydrogen absorbed is calculated by mass balance. The kinetics measure-\\nments setup which is based on volumetric method, is shown in Fig. 1. The setup\\nwas constructed with seamless stainless steel (SS316) tube, high pressure packless\\ntype bellow valves and calibrated cylinders. Piezo resistive type sensors of range\\n0\\u2013100 bar with an accuracy of 0.1% full scale are used for measuring pressure. \\u2018K\\u2019\\n\\n\\f158\\n\\nE. Anil Kumar et al. / Journal of Alloys and Compounds 470 (2009) 157\\u2013162\\n\\nNomenclature\\n\\nrate constant\\nmass of hydrogen (g)\\n\\nk\\nm\\nmalloy mass of alloy (g)\\npressure (N/m2)\\nP\\ncharacteristic gas constant of hydrogen (J/g K)\\nR\\ntemperature (\\u25e6C)\\nT\\nv\\nvalve\\nvolume (m3)\\nweight percent of hydrogen (%)\\ncompressibility factor\\n\\nV\\nwt\\nZ\\n\\nGreek letters\\n\\u02db\\n(cid:2)\\n\\nfraction absorbed\\nAvarami exponent\\n\\nSubscripts\\na\\ns\\nt\\nT\\n1\\u20136\\n\\nabsorption\\nstart of the experiment\\ntime\\ntotal\\ndesignation of volumes\\n\\ntype thermocouples of accuracy \\u00b10.11 \\u25e6C and a time constant 0.2 s are used for mea-\\nsuring temperature. A digital Pirani gauge of accuracy \\u00b10.5% is used for measuring\\nthe vacuum. A cylindrical reactor of 15 mm inner diameter and 2 mm wall thickness\\nas shown in Fig. 2 is used for the dynamic PCI measurements and absorption kinetic\\nstudies. One end of the reactor is closed, while the other end is threaded with an\\nend cap, so that the reactor can be charged with metal alloy.\\n\\n2.3. Measurement procedure and data reduction\\n\\nAs shown in Fig. 1 the experimental setup is divided into six volumes; V1 (vol-\\nume of CC1 and pipe connecting CC1 to v1), V2 (volume of CC2 and pipe connecting\\nCC2 to v2), V3 (volume of CC3 and pipe connecting CC3 to v3), V4 (volume of pipe\\nbetween v1, v2, v3, v5, v6, v7, v8 and v9), V5 (volume of pipe between v4 and v5) and\\nV6 (volume of free space in the reactor and pipe volume upto v5). Volumes V1\\u2013V5 are\\ndetermined precisely during fabrication of setup by connecting a known volume to\\nvalve v5. The method used for volume calculation is based on isothermal expansion\\nof an ideal gas from known volume at room temperature and low pressure. Volume\\nof free space in the reactor upto valve v5 is determined each and every time the\\nreactor is connected using the above method as the volume change with quantity\\nof powder and length of the connecting pipe. All volumes V1\\u2013V6 are evacuated to\\n10\\u22123 mbar at the start of each absorption experiment by opening all valves except\\nv6, v7 and v9. After evacuation, valves v4 and v8 are closed and hydrogen is intro-\\nduced into volumes V1, V2, V3 and V4 to a predetermined pressure (Psupply/Peq = 2) by\\nopening the valve v6. Then valve v6 is closed and system is allowed to reach steady\\nstate. Initial masses of hydrogen in V1, V2, V3 and V4 are calculated as follows:\\n\\nmi,s =\\n\\nPi,sVi\\nZ(Pi,s, Ti,s)RTi,s\\n\\n,\\n\\nFor i = 1\\u20134\\n\\nTotal masses of hydrogen at the start of experiment is given by\\n\\nThen the valve v4 is opened and hydrogen is allowed to \\ufb02ow into the reactor. The\\npressure P1 and temperatures T1\\u2013T6 are recorded for every 2 s. At any time t, masses\\nof hydrogen in volumes V1\\u2013V6 are calculated as follows\\n\\nmi,t =\\n\\nPi,t Vi\\nZ(Pi,t , Ti,t )RTi,t\\n\\n,\\n\\nFor i = 1\\u20136\\n\\nTotal mass of hydrogen in the system at anytime t is\\n\\nms =\\n\\nmi,s\\n\\n4(cid:2)\\n\\ni=1\\n\\nmt =\\n\\nmi,t\\n\\n6(cid:2)\\n\\ni=1\\n\\nma,t = ms \\u2212 mt\\n\\nMass of hydrogen absorbed till any particular time t is calculated as\\n\\n(1)\\n\\n(2)\\n\\n(3)\\n\\n(4)\\n\\n(5)\\n\\n(6)\\n\\n(7)\\n\\n2.2. Alloy preparation and activation\\n\\nStorage capacity (wt%) of hydrogen is calculated as\\n\\nThe alloy samples with an average particle size of 50 (cid:4)m were sourced from\\nDefence Metallurgical Research Laboratory, India. Sample mass of 20 g each for PCI\\nmeasurements and 10 g each for absorption kinetics were used. Activation process\\nconsists of a series of evacuation and charging of hydrogen. MmNi5 and MmNi4.7Al0.3\\nbeing high pressure alloys, activation was done by evacuation of reactor to 10\\u22123 mbar\\nat room temperature and supplying hydrogen at 100 bar at 10 \\u25e6C. MmNi4.5Al0.5 is a\\nmedium pressure alloy and is activated by evacuation to 10\\u22123 mbar at 80 \\u25e6C and\\nsupplying hydrogen at 80 bar at room temperature. Activation of MmNi4.2Al0.8 and\\nMmNi4Al alloys, being low pressure alloys consisted of evacuation to 10\\u22123 mbar\\nat 80oC and charging with hydrogen at 20 bar at 25 \\u25e6C temperature. The process of\\nevacuation and charging was repeated for 20 cycles to complete the alloys activation.\\n\\nwtt % =\\n\\n\\u00d7 100\\n\\nma,t\\nmalloy\\n\\nFraction absorbed is calculated as\\nFraction absorbed = wtt %\\nwtT%\\n\\nwhere wtT% is the total storage capcity of metal alloy.\\n\\nAfter each absorption test, the reactor is evacuated to 10\\u22123 mbar and absorption\\nexperiment is carried at different temperatures. A least square analysis is made to\\n\\ufb01nd the error limits. The maximum errors in calculating wt% are \\u00b13.5 and \\u00b13% for\\ndynamic and kinetics measurements, respectively. Further, the maximum errors in\\n\\nFig. 1. Schematic of experimental setup for kinetics measurements.\\n\\n\\fE. Anil Kumar et al. / Journal of Alloys and Compounds 470 (2009) 157\\u2013162\\n\\n159\\n\\nFig. 2. Reactor for kinetics measurements.\\n\\nFig. 3. XRD patterns of MmNi5\\u2212xAlx (x = 0, 0.3, 0.5, 0.8 and 1) alloys.\\n\\nestimated values apparent reaction enthalpy and entropy are \\u00b15.75 and \\u00b15.65%,\\nrespectively.\\n\\n3. \"\n        ],\n        \"semantic_type\": \"\",\n        \"description\": \"\"\n      }\n    }\n  ]\n}"
            }
          },
          "metadata": {},
          "execution_count": 18
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "# prompt: Using dataframe df: plot the histogram of the word count of the experimental section\n",
        "\n",
        "import pandas as pd\n",
        "import matplotlib.pyplot as plt\n",
        "\n",
        "# Create a new column with the word count of the experimental section\n",
        "df['word_count'] = df['Experimental Section'].str.split().str.len()\n",
        "\n",
        "# Plot the histogram\n",
        "plt.hist(df['word_count'], bins=30)\n",
        "plt.xlabel('Word Count')\n",
        "plt.ylabel('Frequency')\n",
        "plt.title('PCI Experimental Section ')\n",
        "plt.show()\n"
      ],
      "metadata": {
        "id": "opfpmqYE5fSi",
        "outputId": "58aa3814-6f83-4e38-bae1-c606f3b5f4c7",
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 472
        }
      },
      "execution_count": 22,
      "outputs": [
        {
          "output_type": "display_data",
          "data": {
            "text/plain": [
              "<Figure size 640x480 with 1 Axes>"
            ],
            "image/png": 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\n"
          },
          "metadata": {}
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "df"
      ],
      "metadata": {
        "id": "6q5p52TA5ymH",
        "outputId": "5db0deb4-58ea-43d1-ec93-b7d03979114d",
        "colab": {
          "base_uri": "https://localhost:8080/",
          "height": 16972
        }
      },
      "execution_count": 23,
      "outputs": [
        {
          "output_type": "execute_result",
          "data": {
            "text/plain": [
              "    PDF Name                               Experimental Section  word_count\n",
              "0      1.pdf  \\nAll preparation and manipulation was perform...         501\n",
              "1      2.pdf  \\n(Alfa Aesar, 98%), KBH4(Alfa Aesar, 98%) and...         621\n",
              "2      3.pdf  y and theoretically performance\\ninvestigation...        2885\n",
              "3      4.pdf  \\n\\nFor  the  sample  synthesis,  all  the  el...         310\n",
              "4      5.pdf  \\n\\nAll  handling  of  chemicals  and  sealabl...         905\n",
              "..       ...                                                ...         ...\n",
              "103  133.pdf  and theoretical studies on static and\\ndynamic...        2765\n",
              "104  135.pdf  \\nThe materials were prepared by mechanical al...         199\n",
              "105  136.pdf  \\nAll samples were synthesized by melting high...         365\n",
              "106  137.pdf  \\nFig. 1 shows the schematic diagram of an exp...         196\n",
              "107  139.pdf  details\\n\\nAs-cast CoFeMnTixVZr, CoFeMnTiVyZr,...         236\n",
              "\n",
              "[108 rows x 3 columns]"
            ],
            "text/html": [
              "\n",
              "  <div id=\"df-765d65d9-6b94-494a-bc42-ba6fdc2ac795\" class=\"colab-df-container\">\n",
              "    <div>\n",
              "<style scoped>\n",
              "    .dataframe tbody tr th:only-of-type {\n",
              "        vertical-align: middle;\n",
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              "\n",
              "    .dataframe tbody tr th {\n",
              "        vertical-align: top;\n",
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              "</style>\n",
              "<table border=\"1\" class=\"dataframe\">\n",
              "  <thead>\n",
              "    <tr style=\"text-align: right;\">\n",
              "      <th></th>\n",
              "      <th>PDF Name</th>\n",
              "      <th>Experimental Section</th>\n",
              "      <th>word_count</th>\n",
              "    </tr>\n",
              "  </thead>\n",
              "  <tbody>\n",
              "    <tr>\n",
              "      <th>0</th>\n",
              "      <td>1.pdf</td>\n",
              "      <td>\\nAll preparation and manipulation was perform...</td>\n",
              "      <td>501</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>1</th>\n",
              "      <td>2.pdf</td>\n",
              "      <td>\\n(Alfa Aesar, 98%), KBH4(Alfa Aesar, 98%) and...</td>\n",
              "      <td>621</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>2</th>\n",
              "      <td>3.pdf</td>\n",
              "      <td>y and theoretically performance\\ninvestigation...</td>\n",
              "      <td>2885</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>3</th>\n",
              "      <td>4.pdf</td>\n",
              "      <td>\\n\\nFor  the  sample  synthesis,  all  the  el...</td>\n",
              "      <td>310</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>4</th>\n",
              "      <td>5.pdf</td>\n",
              "      <td>\\n\\nAll  handling  of  chemicals  and  sealabl...</td>\n",
              "      <td>905</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>...</th>\n",
              "      <td>...</td>\n",
              "      <td>...</td>\n",
              "      <td>...</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>103</th>\n",
              "      <td>133.pdf</td>\n",
              "      <td>and theoretical studies on static and\\ndynamic...</td>\n",
              "      <td>2765</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>104</th>\n",
              "      <td>135.pdf</td>\n",
              "      <td>\\nThe materials were prepared by mechanical al...</td>\n",
              "      <td>199</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>105</th>\n",
              "      <td>136.pdf</td>\n",
              "      <td>\\nAll samples were synthesized by melting high...</td>\n",
              "      <td>365</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>106</th>\n",
              "      <td>137.pdf</td>\n",
              "      <td>\\nFig. 1 shows the schematic diagram of an exp...</td>\n",
              "      <td>196</td>\n",
              "    </tr>\n",
              "    <tr>\n",
              "      <th>107</th>\n",
              "      <td>139.pdf</td>\n",
              "      <td>details\\n\\nAs-cast CoFeMnTixVZr, CoFeMnTiVyZr,...</td>\n",
              "      <td>236</td>\n",
              "    </tr>\n",
              "  </tbody>\n",
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              "summary": "{\n  \"name\": \"df\",\n  \"rows\": 108,\n  \"fields\": [\n    {\n      \"column\": \"PDF Name\",\n      \"properties\": {\n        \"dtype\": \"string\",\n        \"num_unique_values\": 108,\n        \"samples\": [\n          \"102.pdf\",\n          \"13.pdf\",\n          \"5.pdf\"\n        ],\n        \"semantic_type\": \"\",\n        \"description\": \"\"\n      }\n    },\n    {\n      \"column\": \"Experimental Section\",\n      \"properties\": {\n        \"dtype\": \"string\",\n        \"num_unique_values\": 95,\n        \"samples\": [\n          \"\\nSamples reduced to powders were produced by magnetron\\nco-sputtering of Mg and Ni, assisted with Ar\\u00fe ions. Each alloy\\nwas deposited on a glass substrate with a deposition time of\\n2 h. The synthesis parameters are given in Table 1. Four\\nsamples were deposited keeping the same Mg magnetron\\nintensity (IMg) while altering the Ni magnetron intensity (INi),\\nand consequently the global Ni content in the layer. The last\\n\\nsample was obtained by using a mid-value for INi and by\\ndecreasing the IMg to the same level.\\n\\nThe as-produced delaminated \\ufb02akes from \\ufb01lms were after-\\nwards manually crushed to produce coarse powders of one\\ngram in weight. The powders were then analysed by X-ray\\npowder diffraction (XRD, y=2y setting with Copper Ka radia-\\ntion, Philips Analytical X\\u2019pert) and by scanning electron\\nmicroscopy (SEM, Leo Supra 50) equipped with X-ray energy\\ndispersive spectroscopy (EDS,\\nInca Oxford Instruments).\\nSubsequently the samples were loaded on a volumetric\\nautomated gas reaction controller (GRC, commercial instru-\\nment built by Advanced Materials Corporation, Pittsburgh,\\nUSA), for hydrogen activation and for performing sorption\\nmeasurements.\\n\\nThe activation procedure started with out-gassing during\\n12 h at 473 K and was followed by a number of soak/release\\ncycles. During soak the sample chamber was \\ufb01lled with\\nhydrogen at 30.4 bar for 90 min at 573 K, whereas during the\\nrelease mode the chamber was maintained at 573 K for 60 min\\nunder vacuum (1:2 (cid:2) 10(cid:3)2 mbar). Full activation was consid-\\nered achieved when the hydrogen storage of the sample\\nstabilises over three consecutive cycles. The required number\\nof cycles for full activation, for each sample, is given in\\nTable 2.\\n\\nFollowing\\n\\nactivation,\\n\\npressure-composition-isotherms\\n(PCIs) were acquired at \\ufb01ve different temperatures, (513, 543,\\n573, 603 and 623 K), at a maximum pressure of 20.3 bar. At the\\nend of the absorption/desorption runs, the samples were\\nagain microscopically analysed by XRD and SEM. The\\nenthalpy of dissociation of the hydrides was determined by\\nthe construction of the van\\u2019t Hoff plots.\\n\\n3.\\n\\n\",\n          \"details\\n\\nA nanostructured MgH2/0.1TiH2 composite was prepared by\\nball milling under high hydrogen pressure. Therefore\\na mixture of Mg (99.8% purity, (cid:3)325 mesh, Alfa Aesar) and\\n0.1Ti (99.98%, (cid:3)325 mesh, SigmaeAldrich) with a total weight\\nof 2 g was ball milled for 20 h under an initial hydrogen\\npressure of 30 MPa, with a rotation speed of 400 rpm. Milling\\nwas stopped for 30 min after 10 h milling in order to prevent\\noverheating. For milling, a commercial planetary ball mill\\nPULVERISETTE 6 from Fritsch was used. The milling vessel\\nwas home-made, equipped with a telemetric system to\\nmeasure the pressure inside the vessel during the milling\\nprocess [27,28]. Seven stainless steel balls with a diameter of\\n15 mm were used. The total weight of the balls was 100 g\\nresulting in a ball-to-sample ratio of 50:1.\\n\\nThe X-ray diffraction patterns for qualitative and quanti-\\ntative analysis were collected on a Stoe STADI P transmission\\ndiffractometer in Debye-Scherrer geometry (Mo Ka1: 0.70930A\\u02da )\\nwith a primary monochromator and a linear position sensitive\\ndetector. For the measurements, the samples were \\ufb01lled into\\nglass capillaries under argon and the capillaries were sealed to\\nprevent exposure to air before the measurements. The\\nobtained XRD patterns were evaluated by comparison with\\nentries in the PDF-2 powder pattern database. The crystallite\\nsize was determined by the program TOPAS [29].\\n\\nand to\\n\\nTo study the thermodynamics and desorption properties of\\ncompare with\\nMgH2/0.1TiH2 nano-composite\\ncommercial MgH2 sample (98%, Alfa), Thermogravimetry-\\nDifferential Scanning Calorimetry (TG-DSC) experiments\\nwere performed using a TGA/DSC1 STAR system (METTLER\\nTOLEDO). The temperature program was set up from 40 to\\n(cid:3)1. During the\\n550 (cid:1)C with a heating rate of 10 K min\\n(cid:3)1 was\\nmeasurements, an argon \\ufb02ow with a rate of 50 ml min\\napplied. The weighing and loading of the sample into the\\nmeasuring system were conducted under argon protection.\\n\\nHydrogen absorption and pressure-composition isotherm\\n(PCI) measurements were conducted on an automatic appa-\\nratus PCTPro-2000 from Hy-Energy LLC Company. After\\ndesorption, the hydrogen absorption curves of the dehydro-\\ngenated MgH2/0.1TiH2 nano-composite sample at 300, 200, 100\\nand 40 (cid:1)C, under an initial hydrogen pressure of 1 MPa were\\nmeasured. The PCI measurements for the MgH2/0.1TiH2\\nnano-composite sample were performed at 269, 280, 289 and\\n301 (cid:1)C, while the PCI measurements for the commercial MgH2\\nsample were conducted at 330, 352 and 370 (cid:1)C. An amount of\\n0.3e0.5 g of the composite was used for each PCI measure-\\nment. The reservoir volume was ca. 12 ml and the sample\\nholder free space was ca. 13 ml. The maximum time for each\\naliquot was 100 min. The pressure change applied to the\\nreservoir volume between dosing each aliquot was 0.1 MPa.\\n\\nFig. 1 e Hydrogen pressure vs. milling time during the high\\npressure ball milling process of Mg and Ti power mixture\\nunder an initial hydrogen pressure of 30 MPa.\\n\\na fast hydrogen absorption reaction of the Mg \\u00fe 0.1Ti\\nmixture during the high pressure milling. After 2.5 h\\nmilling, the hydrogen pressure decreased with a much\\nslower rate. At this point, the hydrogen adsorption process\\nwas almost completed. For further reduction of the crys-\\ntallite size of the composite sample, the milling process\\nwas continued up to 20 h. After 10 h, milling was inter-\\nrupted for ca. 30 min to prevent overheating inside.\\n\\nFig. 2(a) shows the X-ray diffraction pattern of\\nthe\\ncomposite sample after the milling process. Only two phases -\\nMgH2 (1074-0934, tetragonal) and TiH2 (1071-4960, cubic) can\\nbe observed. There is no unreacted Mg or Ti metal from the\\nstarting material, which agrees with the result from Fig. 1\\n\\n3.\\n\\n\",\n          \"measurements\\n\\n2.1. Description of the setup\\n\\nThe experimental details and procedure for dynamic PCI measurements were\\ngiven in detail in the recent paper by the authors [6]. The amount of hydrogen\\nabsorbed or desorbed is calculated by mass balance using ideal gas equation. The\\namount of hydrogen absorbed is calculated by mass balance. The kinetics measure-\\nments setup which is based on volumetric method, is shown in Fig. 1. The setup\\nwas constructed with seamless stainless steel (SS316) tube, high pressure packless\\ntype bellow valves and calibrated cylinders. Piezo resistive type sensors of range\\n0\\u2013100 bar with an accuracy of 0.1% full scale are used for measuring pressure. \\u2018K\\u2019\\n\\n\\f158\\n\\nE. Anil Kumar et al. / Journal of Alloys and Compounds 470 (2009) 157\\u2013162\\n\\nNomenclature\\n\\nrate constant\\nmass of hydrogen (g)\\n\\nk\\nm\\nmalloy mass of alloy (g)\\npressure (N/m2)\\nP\\ncharacteristic gas constant of hydrogen (J/g K)\\nR\\ntemperature (\\u25e6C)\\nT\\nv\\nvalve\\nvolume (m3)\\nweight percent of hydrogen (%)\\ncompressibility factor\\n\\nV\\nwt\\nZ\\n\\nGreek letters\\n\\u02db\\n(cid:2)\\n\\nfraction absorbed\\nAvarami exponent\\n\\nSubscripts\\na\\ns\\nt\\nT\\n1\\u20136\\n\\nabsorption\\nstart of the experiment\\ntime\\ntotal\\ndesignation of volumes\\n\\ntype thermocouples of accuracy \\u00b10.11 \\u25e6C and a time constant 0.2 s are used for mea-\\nsuring temperature. A digital Pirani gauge of accuracy \\u00b10.5% is used for measuring\\nthe vacuum. A cylindrical reactor of 15 mm inner diameter and 2 mm wall thickness\\nas shown in Fig. 2 is used for the dynamic PCI measurements and absorption kinetic\\nstudies. One end of the reactor is closed, while the other end is threaded with an\\nend cap, so that the reactor can be charged with metal alloy.\\n\\n2.3. Measurement procedure and data reduction\\n\\nAs shown in Fig. 1 the experimental setup is divided into six volumes; V1 (vol-\\nume of CC1 and pipe connecting CC1 to v1), V2 (volume of CC2 and pipe connecting\\nCC2 to v2), V3 (volume of CC3 and pipe connecting CC3 to v3), V4 (volume of pipe\\nbetween v1, v2, v3, v5, v6, v7, v8 and v9), V5 (volume of pipe between v4 and v5) and\\nV6 (volume of free space in the reactor and pipe volume upto v5). Volumes V1\\u2013V5 are\\ndetermined precisely during fabrication of setup by connecting a known volume to\\nvalve v5. The method used for volume calculation is based on isothermal expansion\\nof an ideal gas from known volume at room temperature and low pressure. Volume\\nof free space in the reactor upto valve v5 is determined each and every time the\\nreactor is connected using the above method as the volume change with quantity\\nof powder and length of the connecting pipe. All volumes V1\\u2013V6 are evacuated to\\n10\\u22123 mbar at the start of each absorption experiment by opening all valves except\\nv6, v7 and v9. After evacuation, valves v4 and v8 are closed and hydrogen is intro-\\nduced into volumes V1, V2, V3 and V4 to a predetermined pressure (Psupply/Peq = 2) by\\nopening the valve v6. Then valve v6 is closed and system is allowed to reach steady\\nstate. Initial masses of hydrogen in V1, V2, V3 and V4 are calculated as follows:\\n\\nmi,s =\\n\\nPi,sVi\\nZ(Pi,s, Ti,s)RTi,s\\n\\n,\\n\\nFor i = 1\\u20134\\n\\nTotal masses of hydrogen at the start of experiment is given by\\n\\nThen the valve v4 is opened and hydrogen is allowed to \\ufb02ow into the reactor. The\\npressure P1 and temperatures T1\\u2013T6 are recorded for every 2 s. At any time t, masses\\nof hydrogen in volumes V1\\u2013V6 are calculated as follows\\n\\nmi,t =\\n\\nPi,t Vi\\nZ(Pi,t , Ti,t )RTi,t\\n\\n,\\n\\nFor i = 1\\u20136\\n\\nTotal mass of hydrogen in the system at anytime t is\\n\\nms =\\n\\nmi,s\\n\\n4(cid:2)\\n\\ni=1\\n\\nmt =\\n\\nmi,t\\n\\n6(cid:2)\\n\\ni=1\\n\\nma,t = ms \\u2212 mt\\n\\nMass of hydrogen absorbed till any particular time t is calculated as\\n\\n(1)\\n\\n(2)\\n\\n(3)\\n\\n(4)\\n\\n(5)\\n\\n(6)\\n\\n(7)\\n\\n2.2. Alloy preparation and activation\\n\\nStorage capacity (wt%) of hydrogen is calculated as\\n\\nThe alloy samples with an average particle size of 50 (cid:4)m were sourced from\\nDefence Metallurgical Research Laboratory, India. Sample mass of 20 g each for PCI\\nmeasurements and 10 g each for absorption kinetics were used. Activation process\\nconsists of a series of evacuation and charging of hydrogen. MmNi5 and MmNi4.7Al0.3\\nbeing high pressure alloys, activation was done by evacuation of reactor to 10\\u22123 mbar\\nat room temperature and supplying hydrogen at 100 bar at 10 \\u25e6C. MmNi4.5Al0.5 is a\\nmedium pressure alloy and is activated by evacuation to 10\\u22123 mbar at 80 \\u25e6C and\\nsupplying hydrogen at 80 bar at room temperature. Activation of MmNi4.2Al0.8 and\\nMmNi4Al alloys, being low pressure alloys consisted of evacuation to 10\\u22123 mbar\\nat 80oC and charging with hydrogen at 20 bar at 25 \\u25e6C temperature. The process of\\nevacuation and charging was repeated for 20 cycles to complete the alloys activation.\\n\\nwtt % =\\n\\n\\u00d7 100\\n\\nma,t\\nmalloy\\n\\nFraction absorbed is calculated as\\nFraction absorbed = wtt %\\nwtT%\\n\\nwhere wtT% is the total storage capcity of metal alloy.\\n\\nAfter each absorption test, the reactor is evacuated to 10\\u22123 mbar and absorption\\nexperiment is carried at different temperatures. A least square analysis is made to\\n\\ufb01nd the error limits. The maximum errors in calculating wt% are \\u00b13.5 and \\u00b13% for\\ndynamic and kinetics measurements, respectively. Further, the maximum errors in\\n\\nFig. 1. Schematic of experimental setup for kinetics measurements.\\n\\n\\fE. Anil Kumar et al. / Journal of Alloys and Compounds 470 (2009) 157\\u2013162\\n\\n159\\n\\nFig. 2. Reactor for kinetics measurements.\\n\\nFig. 3. XRD patterns of MmNi5\\u2212xAlx (x = 0, 0.3, 0.5, 0.8 and 1) alloys.\\n\\nestimated values apparent reaction enthalpy and entropy are \\u00b15.75 and \\u00b15.65%,\\nrespectively.\\n\\n3. \"\n        ],\n        \"semantic_type\": \"\",\n        \"description\": \"\"\n      }\n    },\n    {\n      \"column\": \"word_count\",\n      \"properties\": {\n        \"dtype\": \"number\",\n        \"std\": 899,\n        \"min\": 0,\n        \"max\": 6175,\n        \"num_unique_values\": 93,\n        \"samples\": [\n          1967,\n          603,\n          418\n        ],\n        \"semantic_type\": \"\",\n        \"description\": \"\"\n      }\n    }\n  ]\n}"
            }
          },
          "metadata": {},
          "execution_count": 23
        }
      ]
    },
    {
      "cell_type": "code",
      "source": [
        "\n",
        "df.to_csv('experimental_sections_PCI_PDF.csv')\n"
      ],
      "metadata": {
        "id": "tX_NpQnq5RMc"
      },
      "execution_count": 19,
      "outputs": []
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "7qO_o_6VxkuK"
      },
      "source": [
        "Now we can use `spaCy` to parse that text:"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": null,
      "metadata": {
        "id": "65KXPtwHxkuM"
      },
      "outputs": [],
      "source": [
        "import spacy\n",
        "\n",
        "nlp = spacy.load(\"en_core_web_sm\")\n",
        "doc = nlp(text)"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "IlK62MsGxkuN"
      },
      "source": [
        "Let's look at a dataframe of the parsed tokens:"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": null,
      "metadata": {
        "id": "WfrqgmUqxkuO"
      },
      "outputs": [],
      "source": [
        "import pandas as pd\n",
        "\n",
        "cols = (\"text\", \"lemma\", \"POS\", \"explain\", \"stopword\")\n",
        "rows = []\n",
        "\n",
        "for t in doc:\n",
        "    row = [t.text, t.lemma_, t.pos_, spacy.explain(t.pos_), t.is_stop]\n",
        "    rows.append(row)\n",
        "\n",
        "df = pd.DataFrame(rows, columns=cols)\n",
        "df"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "UfTgpNUKxkuP"
      },
      "source": [
        "The parsed text shows lots of characters that could be cleaned up, but for this demo, let's run *named entity resolution* in `spaCy` to extract the entities:"
      ]
    },
    {
      "cell_type": "code",
      "execution_count": null,
      "metadata": {
        "id": "xrW_DjWCxkuP"
      },
      "outputs": [],
      "source": [
        "for ent in doc.ents:\n",
        "    print(ent.text, ent.label_)"
      ]
    },
    {
      "cell_type": "markdown",
      "metadata": {
        "id": "unKFAaH5xkuQ"
      },
      "source": [
        "Great, that identified multiple mentions of the _NHANES_ dataset:\n",
        "\n",
        "  * `the Third National Health and Nutrition Examination Survey` _ORG_\n",
        "  * `NHANES III` _PERSON_\n",
        "  \n",
        "The default labels aren't correct, but we could [update the Named Entity Recognizer](https://spacy.io/usage/training#ner) in `spaCy` to fix that."
      ]
    }
  ],
  "metadata": {
    "kernelspec": {
      "display_name": "Python 3",
      "language": "python",
      "name": "python3"
    },
    "language_info": {
      "codemirror_mode": {
        "name": "ipython",
        "version": 3
      },
      "file_extension": ".py",
      "mimetype": "text/x-python",
      "name": "python",
      "nbconvert_exporter": "python",
      "pygments_lexer": "ipython3",
      "version": "3.7.3"
    },
    "colab": {
      "provenance": []
    }
  },
  "nbformat": 4,
  "nbformat_minor": 0
}