Dataset Open Access

Raw Data of Pilot Plant Runs for CONSENS Project (Case Study 1)

Simon Kern; Lukas Wander; Klas Meyer; Svetlana Guhl; Anwesh Reddy Gottu Mukkula; Manuel Holtkamp; Malte Salge; Christoph Fleischer; Nils Weber; Rudibert King; Sebastian Engell; Andrea Paul; Manuel Pereira Remelhe; Michael Maiwald


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  <identifier identifierType="DOI">10.5281/zenodo.1438233</identifier>
  <creators>
    <creator>
      <creatorName>Simon Kern</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-5092-1591</nameIdentifier>
      <affiliation>Bundesanstalt für Materialforschung und –prüfung (BAM)</affiliation>
    </creator>
    <creator>
      <creatorName>Lukas Wander</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-4558-6140</nameIdentifier>
      <affiliation>Bundesanstalt für Materialforschung und –prüfung (BAM)</affiliation>
    </creator>
    <creator>
      <creatorName>Klas Meyer</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-1837-3801</nameIdentifier>
      <affiliation>Bundesanstalt für Materialforschung und –prüfung (BAM)</affiliation>
    </creator>
    <creator>
      <creatorName>Svetlana Guhl</creatorName>
      <affiliation>Bundesanstalt für Materialforschung und –prüfung (BAM)</affiliation>
    </creator>
    <creator>
      <creatorName>Anwesh Reddy Gottu Mukkula</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-1769-6214</nameIdentifier>
      <affiliation>Dortmund University of Technology</affiliation>
    </creator>
    <creator>
      <creatorName>Manuel Holtkamp</creatorName>
      <affiliation>INVITE GmbH</affiliation>
    </creator>
    <creator>
      <creatorName>Malte Salge</creatorName>
      <affiliation>INVITE GmbH</affiliation>
    </creator>
    <creator>
      <creatorName>Christoph Fleischer</creatorName>
      <affiliation>INVITE GmbH</affiliation>
    </creator>
    <creator>
      <creatorName>Nils Weber</creatorName>
      <affiliation>Bayer AG</affiliation>
    </creator>
    <creator>
      <creatorName>Rudibert King</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-0997-0498</nameIdentifier>
      <affiliation>Berlin University of Technology</affiliation>
    </creator>
    <creator>
      <creatorName>Sebastian Engell</creatorName>
      <affiliation>Dortmund University of Technology</affiliation>
    </creator>
    <creator>
      <creatorName>Andrea Paul</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-2849-4754</nameIdentifier>
      <affiliation>Bundesanstalt für Materialforschung und –prüfung (BAM)</affiliation>
    </creator>
    <creator>
      <creatorName>Manuel Pereira Remelhe</creatorName>
      <affiliation>Bayer AG</affiliation>
    </creator>
    <creator>
      <creatorName>Michael Maiwald</creatorName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-4309-728X</nameIdentifier>
      <affiliation>Bundesanstalt für Materialforschung und –prüfung (BAM)</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Raw Data of Pilot Plant Runs for CONSENS Project (Case Study 1)</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2018</publicationYear>
  <subjects>
    <subject>Process Analytical Technology</subject>
    <subject>Multivariate Data Analysis</subject>
    <subject>Nuclear Magnetic resonance</subject>
    <subject>Near Infrared Spectroscopy</subject>
    <subject>Continuous Manufacturing</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2018-09-28</date>
  </dates>
  <language>en</language>
  <resourceType resourceTypeGeneral="Dataset"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/1438233</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.1438232</relatedIdentifier>
  </relatedIdentifiers>
  <version>1.0</version>
  <rightsList>
    <rights rightsURI="http://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;In&amp;nbsp;case study one of the CONSENS project, two aromatic substances were coupled by a lithiation reaction, which is a prominent example in pharmaceutical industry. The two aromatic reactants (Aniline and &lt;em&gt;o&lt;/em&gt;-FNB) were mixed with Lithium-base (LiHMDS)&amp;nbsp;in a continuous modular plant&amp;nbsp;to produce the desired product (Li-NDPA) and a salt (LiF). The salt precipitates which leads to the formation of particles. The feed streams were&amp;nbsp;subject to&amp;nbsp;variation to drive the plant to its optimum.&amp;nbsp;&lt;/p&gt;

&lt;p&gt;The uploaded data comprises the results from four days during continuous plant operation time. Each day is denoted from day 1-4 and represents the dates 2017-09-26,&amp;nbsp;2017-09-28,&amp;nbsp;2017-10-10,&amp;nbsp;2017-10-17.&lt;/p&gt;

&lt;p&gt;In the following the contents of the files are explained.&lt;/p&gt;

&lt;p&gt;&lt;strong&gt;NIR_data_AQ15_raw.zip: &lt;/strong&gt;Contains Bruker binary files (0-Files)&amp;nbsp;of NIR spectrometer at AQ15 (Location is located subsequently to NMR spectrometer)&lt;/p&gt;

&lt;p&gt;&lt;strong&gt;NMR_spectra_raw.zip:&amp;nbsp;&lt;/strong&gt;Contains Spinsolve files (Binarys of&amp;nbsp;FID and Spectrum, DX-Files) of NMR spectrometer. The use of DX-files files is not recommended.&lt;/p&gt;

&lt;p&gt;&lt;strong&gt;PCS_data_csv.zip&lt;/strong&gt;: Contains csv-files of the process control system (PCS) including data of mass flow controlers (*_Bilanz.csv),&amp;nbsp;filling level (*_FillLe.csv), pressures (*_pres), temperatures (*_Temp), position of valves (*_Valves). Relevant labels are: BP13 = LiHMDS&amp;nbsp;storage tank, BP12 = aniline storage tank, BP12 = &lt;em&gt;o&lt;/em&gt;-FNB storage tank, CM003 and CM004 = tubular reactors, T0041 and T005 = Temperature at reactor exits, P009 and P003 = Pressure at reactor inlets, P006 = Pressure at reactor exits.&lt;/p&gt;

&lt;p&gt;&lt;strong&gt;housing_data_NMR.csv&lt;/strong&gt;: Contrains data of NMR enclosure of all four days. Each columns from left to right represent timestamps, bypass pressure (bar), bypass temperature (&amp;deg;C), Gasalarm (logical), bypass actual flowrate (g&amp;nbsp;min&lt;sup&gt;-1&lt;/sup&gt;),&amp;nbsp; bypass flowrate setpoint (g&amp;nbsp;min&lt;sup&gt;-1&lt;/sup&gt;), bypass density (kg&amp;nbsp;m&lt;sup&gt;3&lt;/sup&gt;)&lt;/p&gt;

&lt;p&gt;&lt;strong&gt;matlab_variables_explanation.xlsx&lt;/strong&gt;: Explanation of variables used in matlab structure &amp;quot;data_validation_run&amp;quot;.&lt;/p&gt;

&lt;p&gt;&lt;strong&gt;data_validation_run.mat&lt;/strong&gt;: Matlab structure containing most relevant process data including NMR results, NIR results, housing data of NMR, and process control system data.&lt;/p&gt;</description>
  </descriptions>
  <fundingReferences>
    <fundingReference>
      <funderName>European Commission</funderName>
      <funderIdentifier funderIdentifierType="Crossref Funder ID">10.13039/501100000780</funderIdentifier>
      <awardNumber awardURI="info:eu-repo/grantAgreement/EC/H2020/636942/">636942</awardNumber>
      <awardTitle>Integrated Control and Sensing for Sustainable Operation of Flexible Intensified Processes</awardTitle>
    </fundingReference>
  </fundingReferences>
</resource>
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