This #README.txt file was last updated on 20230405 by Anne Sustronk

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GENERAL INFORMATION
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Title of Dataset: Data Chapter 4 Ethylene

Authors: Anne Sustronk (1,2) 
Promotors: 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 4 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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***CO flow through***
Provides the raw data of electrochemical CO conversion with copper hollow fibre electrodes performed in 0.5M KHCO3 or 0.5M KOH. The experiments are performed using an H-cell, with the fibre and the reference electrode located in the cathode compartment and a Pt on Ti mesh located in the anode compartment. A Ag/AgCl (3M NaCl) reference electrode was used in case of the KHCO3 electrolyte and a Hg/HgO reference electrode was used in case of KOH as the electrolyte. The cathode and anode compartments were separated by a Sustainion X37-50 membrane. 20 ml/min CO was purged through the fibre and 10 ml/min Ar 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 -1.3V to -3.2V vs Ag/AgCl (uncorrected potentials; potential correction occured manually after the experiment). A Biologic VMP-3 potentiostat was used. 

The folder contains two sub-folders: KHCO3 and KOH. Each of these subfolders provides the resistance before and after the experiment (resistances.txt) and the acetate, formate and propanol areas obtained from HPLC analysis of the catholyte and anolyte after the experiment (catholyte is shown first, followd by anolyte). In addition, the potentiostat data is stored in separate folders based on the studied 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)
* Fiberxxxx-x xxx FT CO -x_x_01_CI_08: Current interrupt data. Note that the values >0 under Rapp are used to calculate the internal resistance.
* Fiberxxxx-x xxx FT CO -x_x_02_OCV_08: Open circuit potential data
* Fiberxxxx-x xxx FT CO -x_x_03_CA_08: Data from chronoamperometry
* Fiberxxxx-x xxx FT CO -x_x_04_OCV_08:	Open circuit potential data
* Fiberxxxx-x xxx FT CO -x_x_05_CI_08: Current interrupt data. Note that the values >0 under Rapp are used to calculate the internal resistance.

The data in 'CO flow through\KHCO3' is used for Figure 2.
The data in 'CO flow through\KOH' is used for Figure 3.


***CO2 flow through***
Provides the raw data of electrochemical CO2 conversion with copper hollow fibre electrodes performed in 0.5M and 2M KHCO3. 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 -1.8V to -2.8V vs Ag/AgCl (uncorrected potentials; potential correction occured manually after the experiment). A Biologic VMP-3 potentiostat was used. 

The folder contains two sub-folders: 0.5M KHCO3 and 2M KHCO3. Each of these subfolders provides the resistance before and after the experiment (resistances.txt) and the formate and propanol areas obtained from HPLC analysis of the catholyte and anolyte after the experiment (catholyte is shown first, followd by anolyte). In addition, the potentiostat data is stored in separate folders based on the studied 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)
* Fiberxxxx-x xxx CO2 FT KHCO3 -x_x_01_CI_08: Current interrupt data. Note that the values >0 under Rapp are used to calculate the internal resistance.
* Fiberxxxx-x xxx CO2 FT KHCO3 -x_x_02_OCV_08: Open circuit potential data
* Fiberxxxx-x xxx CO2 FT KHCO3 -x_x_03_CA_08: Data from chronoamperometry
* Fiberxxxx-x xxx CO2 FT KHCO3 -x_x_04_OCV_08:	Open circuit potential data
* Fiberxxxx-x xxx CO2 FT KHCO3 -x_x_05_CI_08: Current interrupt data. Note that the values >0 under Rapp are used to calculate the internal resistance.

The data in 'CO2 flow through' is used for Figure 1.


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

Fig1.m is used to prepare Figures 1. This file requires the next files for execution: ConstantPotentialCO2.m and CalcErr.m

Fig2And3.m is used to prepare Figure 2 and 3. This file requires the next files for execution: ConstantPotentialCO.m and CalcErr.m

The files CalXXData(XXXXX).txt provide the peak areas of the specific species (CO, H2, acetate (Ac) and formate (FA)) and the corresponding concentration in ppm.