Dataset Open Access
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
In 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 o-FNB) were mixed with Lithium-base (LiHMDS) in a continuous modular plant 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 subject to variation to drive the plant to its optimum.
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, 2017-09-28, 2017-10-10, 2017-10-17.
In the following the contents of the files are explained.
NIR_data_AQ15_raw.zip: Contains Bruker binary files (0-Files) of NIR spectrometer at AQ15 (Location is located subsequently to NMR spectrometer)
NMR_spectra_raw.zip: Contains Spinsolve files (Binarys of FID and Spectrum, DX-Files) of NMR spectrometer. The use of DX-files files is not recommended.
PCS_data_csv.zip: Contains csv-files of the process control system (PCS) including data of mass flow controlers (*_Bilanz.csv), filling level (*_FillLe.csv), pressures (*_pres), temperatures (*_Temp), position of valves (*_Valves). Relevant labels are: BP13 = LiHMDS storage tank, BP12 = aniline storage tank, BP12 = o-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.
housing_data_NMR.csv: Contrains data of NMR enclosure of all four days. Each columns from left to right represent timestamps, bypass pressure (bar), bypass temperature (°C), Gasalarm (logical), bypass actual flowrate (g min-1), bypass flowrate setpoint (g min-1), bypass density (kg m3)
matlab_variables_explanation.xlsx: Explanation of variables used in matlab structure "data_validation_run".
data_validation_run.mat: Matlab structure containing most relevant process data including NMR results, NIR results, housing data of NMR, and process control system data.