This #README.txt file was last updated on 20230412 by Anne Sustronk

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GENERAL INFORMATION
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Title of Dataset: The electrolyte data

Authors: Anne Sustronk (1,2) , Nieck E. Benes (1), Guido Mul (2)
(1) Films in Fluids, Department of Science and Technology, University of Twente, Enschede, the Netherlands
(2) Photocatalytic Synthesis Group, Department of Science and Technology, University of Twente, Enschede, the Netherlands

Contact information:
Guido Mul
University of Twente - Photocatalytic Synthesis Group
P.O. Box 217
7500 AE Enschede
The Netherlands

g.mul@utwente.nl

The research is perfomed as part of the Electrons to Close the Carbon Cycle (E3C) project in collaboration with the Institute of Sustainable Process Technology (ISPT), AcelorMital, Dow, Nobian, OCI Nitrogen, TNO and Yara. The research is co-funded with subsidy from the Topsector Energy by the Dutch Ministry of Economic Affairs and Climate Policy.

Data underlying Chapter 3 of the dissertation 'Electrochemical CO2 conversion with a flow-through copper hollow fibre - A process parameter evaluation'.

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DATA AND FILE OVERVIEW
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***CsHCO3***
Provides the raw data of electrochemical CO2 conversion with copper hollow fibre electrodes performed in 0.5M CsHCO3. The experiments are performed using an H-cell, with the fibre and a Ag/AgCl reference electrode (3M NaCl) located in the cathode compartment and a Pt on Ti mesh located in the anode compartment. The cathode and anode compartments were separated by a Sustainion X37-50 membrane. 20 ml/min CO2 was purged through the fibre and 10 ml/min CO2 was purged through the head space of the cathode compartment. The fibre sample area was approximately 0.5 cm2. Applied potentials are in the range of -1.0V to -1.8V vs Ag/AgCl (uncorrected potentials; potential correction occured manually after the experiment). A Biologic VMP-3 potentiostat was used. 

This folder also provides the resistance before and after the experiment (CsHCO3 CO2 flow Resistances.txt) and the formate area based on HPLC analysis of the catholyte and anolyte after the experiment (CsHCO3 FA areas.txt; catholyte is shown first, followd by anolyte).

The raw data is stored in separate folders based on the investigated potential. These folders contains the following files:
* Anne20220208-FID.txt: Integrated peak areas of GC analysis of the FID (methane, hydrocarbons)
* Anne20220208-TCD.txt: Integrated peak areas of GC analysis of the TCD (H2, CO)
* CsHCO3 -x.x V CO2 flow.txt: Data from chronoamperometry
* CsHCO3 -x.x V CO2 flow_01_CI.txt: Current interrupt data. Note that the values >0 under Rapp are used to calculate the internal resistance.
* CsHCO3 -x.x V CO2 flow_02_OCV.txt: Open circuit potential data
* CsHCO3 -x.x V CO2 flow_04_OCV.txt: Open circuit potential data
* CsHCO3 -x.x V CO2 flow_05_CI.txt: Current interrupt data. Note that the values >0 under Rapp are used to calculate the internal resistance.
The order of experiments is CI (01), OCV (02), chronoamperometry, OCV (04) and CI (05).

The data in this folder is used for Figure 4.


***K2SO4***
Provides the raw data of electrochemical CO2 conversion with copper hollow fibre electrodes performed in 0.5M K2SO4, the resistance before and after chronoamperometry and the formate concentration of the catholyte and anolyte. This data is used for Figure 1 in the publication. For more information about the experimental condition, see the description given for the 'CsHCO3' folder. 

The K2SO4 file folder also contains two folders named 'CP xx flow'. These folders contain the raw data of chronopotentiometry, which are presented in Figures 3, S2 and S3 of the publication. A separate subfolder is provided for each condition studied. These sub folders contain the following files:
* Anne20220208-FID.txt: Integrated peak areas of GC analysis of the FID (methane, hydrocarbons)
* Anne20220208-TCD.txt: Integrated peak areas of GC analysis of the TCD (H2, CO)
* -xx mA K2SO4 + xx mM H2SO4 (xx) CP.txt: Data from chronoamperometry
* -xx mA K2SO4 + xx mM H2SO4 (xx) CP_01_CI.txt: Current interrupt data. Note that the values >0 under Rapp are used to calculate the internal resistance.
* -xx mA K2SO4 + xx mM H2SO4 (xx) CP_02_OCV.txt: Open circuit potential data
* -xx mA K2SO4 + xx mM H2SO4 (xx) CP_04_OCV.txt: Open circuit potential data
* -xx mA K2SO4 + xx mM H2SO4 (xx) CP_05_CI.txt: Current interrupt data. Note that the values >0 under Rapp are used to calculate the internal resistance.
The order of experiments is CI (01), OCV (02), chronoamperometry, OCV (04) and CI (05).


***KH2PO4***
This folder follows the same structure as the CsHCO3 folder. The data in the KH2PO4 folder is used for Figure 1.


***KHCO3***
This folder follows the same structure as the CsHCO3 folder. The data in the KHCO3 folder is used for Figure 1 and 4.


***Matlab***
This folder contains the Matlab codes used to process the data.

Fig1AndFig4.m provides for Figures 1 and 4. This file requires the next files for execution: Calculations.m, ConstantPotential.m, CallErr.m, CalCOData.txt, CalH2Data.txt, CalFADataFeb22.txt.

Fig2.m provides for Figure 2. This file does not require any other file for execution.

Fig3aAndS2.m provides for Figures 3A and S2. This file requires the next files for execution: ConstantCurrent.m, CalErr.m, CalCOData.txt, CalH2Data.txt, CalFADataFeb22.txt.

Fig3bAndS3 provides for Figures 3B and S3. This file requires the next files for execution: ConstantCurrent.m, CalErr.m, CalCOData.txt, CalH2Data.txt, CalFADataFeb22.txt.

The files CalXXData(XXXXX).txt provide the peak areas of CO, H2, formate respectively and the corresponding concentration in ppm.


***NaHCO3***
This folder follows the same structure as the CsHCO3 folder. The data in the NaHCO3 folder is used for Figure 4.


