Replication Data for "Ammonia Adsorption by Polyacrylonitrile-based Carbon Nanofibers" (ICPSR doi:10.26165/JUELICH-DATA/S2XWPM)

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Replication Data for "Ammonia Adsorption by Polyacrylonitrile-based Carbon Nanofibers"

doi:10.26165/JUELICH-DATA/S2XWPM

Jülich DATA

2026-08-10

1

Metschan, Paula; Kretzschmar, Ansgar; Tempel, Hermann; Goudeli, Eirini; Scholes, Colin; Eichel, Rüdiger-A., 2026, "Replication Data for "Ammonia Adsorption by Polyacrylonitrile-based Carbon Nanofibers"", https://doi.org/10.26165/JUELICH-DATA/S2XWPM, Jülich DATA, V1

Replication Data for "Ammonia Adsorption by Polyacrylonitrile-based Carbon Nanofibers"

doi:10.26165/JUELICH-DATA/S2XWPM

Metschan, Paula (IET-1 Forschungszentrum Jülich GmbH, RWTH Aachen University, University of Melbourne)

Kretzschmar, Ansgar (IET-1 Forschungszentrum Jülich GmbH)

Tempel, Hermann (IET-1 Forschungszentrum Jülich GmbH)

Goudeli, Eirini (University of Melbourne)

Scholes, Colin (University of Melbourne)

Eichel, Rüdiger-A. (IET-1 Forschungszentrum Jülich GmbH, IPC RWTH Aachen University, Faculty of Mechanical Engineering RWTH Aachen University)

Metschan, Paula

Kretzschmar, Ansgar

Tempel, Hermann

Goudeli, Eirini

Scholes, Colin

Eichel, Rüdiger-A.

3P Instruments Surface Area and Pore Size Analyzer System

ASiQwin

390919832

JUMPA

Jülich DATA

Metschan, Paula

Tempel, Hermann

Metschan, Paula

2026-05-08

Chemistry, Physics, Adsorption, Carbon Molecular Sieve, Carbonization, Ammonia

<p>This dataset provides the complete replication data supporting the publication &ldquo;Ammonia Adsorption by Polyacrylonitrile-based Carbon Nanofibers (https://doi.org/10.1021/acs.iecr.6c01147)". It contains all raw and processed files required to reproduce every figure presented in the manuscript. The data is based on polyacrylonitrile-based carbon nanofiber pellet samples that were carbonized at temperatures of 800, 850, 900, 950 and 1000 &deg;C. The dataset includes measurements by Scanning Electron Microscopy (SEM), X-Ray Photoelectron Spectroscopy (XPS) and CHNO Elemental analysis. Gas Adsorption Isotherms of Ar and CO2 were measured for general pore characterization and Monte Carlo Simulations were performed to provide Pore Size Distribution. Ammonia adsorption/desorption isotherms and adsorption equilibration curves were measured at 25 and 50 &deg;C.<br /><br />Methods:<br />All methods and post-processing procedures are available under https://doi.org/10.1021/acs.iecr.6c01147 <br /><br /><br />Folder Structure:<br />- Measurement Type<br /> - Raw Data Files<br /> - Metadata Files with explanation to technical measurement details<br /><br />Sample Name : PAN - CXXX (Polyacrylonitrile - Carbonization Temperature)<br /><br /><br />Abbreviations:<br /><br />PAN = Polyacrylonitrile<br />SEM = Scanning Electron Microscopy<br />XPS = X-Ray Photoelectron Spectroscopy<br />Ar = Argon<br />CO2 = Carbondioxide<br />NH3 = Ammonia<br />PSD = Poresize Distribution<br />SEQ = Static Equilibration Curve<br /><br /><br />Relationship of data:<br />Raw data, metadata for measurement<br /><br /><br />Relationship of data and figures in paper:</p> <p><br />Main text:<br />figure 1 = SEM<br />figure 2 = CHNO<br />figure 3 = XPS<br />figure 4 = Adsorption - Ar - Isotherms<br />figure 5 = Adsorption - CO2 - Isotherms, PSD<br />figure 6 = Adsorption - NH3 - Isotherms - 298K, 323K<br />figure 7 = Adsorption - NH3 - Isotherms - 298K, 303K, 308K, 323K<br />figure 8 = calculated from data in figure 7<br />figure 9 = Adsorption - NH3 - Equilibration Curves - 298K, 323K<br />figure 10 = calculated from fit fuctions in figure 9<br /><br />Supporting Information:<br />figure 1 = XPS<br />figure 2 = XPS<br />figure 3 = Adsorption - NH3 - Isotherms - 298K, 303K, 308K, 323K<br />figure 4 = Adsorption - NH3 - SEQ - Measurements - 298K-50mbar, 298K-100mbar, 323K-50mbar, 323K-100mbar<br />figure 5 = Adsorption - NH3 - SEQ - Measurements - 298K-50mbar, 298K-100mbar, 323K-50mbar, 323K-100mbar<br />figure 6 = Adsorption - NH3 - SEQ - Measurements - 298K-50mbar, 298K-100mbar, 323K-50mbar, 323K-100mbar</p>

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Ar_87K_PAN-C1000_(Isotherm).csv

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Ar_87K_PAN-C1000_(Multi-Point-BET).txt

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Ar_87K_PAN-C800_(Isotherm).csv

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Ar_87K_PAN-C800_(Multi-Point-BET).txt

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Ar_87K_PAN-C850_(Isotherm).csv

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Ar_87K_PAN-C850_(Multi-Point-BET).txt

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Ar_87K_PAN-C900_(Isotherm).csv

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Ar_87K_PAN-C900_(Multi-Point-BET).txt

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Ar_87K_PAN-C950_(Isotherm).csv

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Ar_87K_PAN-C950_(Multi-Point-BET).txt

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BET_Surface_Areas.txt

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CHNO_analysis.txt

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CO2_273K_PAN-C1000_(Isotherm).csv

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CO2_273K_PAN-C800_(Isotherm).csv

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CO2_273K_PAN-C800_(Monte-Carlo-method_Fitting-Comparison).csv

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CO2_273K_PAN-C800_(Monte-Carlo-method_Histogram).csv

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CO2_273K_PAN-C800_(Monte-Carlo-method_Pore-Size-Distribution).csv

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CO2_273K_PAN-C850_(Isotherm).csv

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CO2_273K_PAN-C850_(Monte-Carlo-method_Fitting-Comparison).csv

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CO2_273K_PAN-C850_(Monte-Carlo-method_Histogram).csv

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CO2_273K_PAN-C850_(Monte-Carlo-method_Pore-Size-Distribution).csv

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CO2_273K_PAN-C900_(Isotherm).csv

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CO2_273K_PAN-C900_(Monte-Carlo-method_Fitting-Comparison).csv

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CO2_273K_PAN-C900_(Monte-Carlo-method_Histogram).csv

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CO2_273K_PAN-C900_(Monte-Carlo-method_Pore-Size-Distribution).csv

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CO2_273K_PAN-C950_(Isotherm).csv

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Metadata_Ar_Isotherms.txt

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Metadata_CHNO.txt

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Metadata_CO2_Isotherms.txt

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Metadata_MC_Poresize-Distribution.txt

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Metadata_NH3_298K.txt

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Metadata_NH3_303K.txt

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Metadata_NH3_308K.txt

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Metadata_NH3_323K.txt

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Metadata_SEC_298K_100mbar.txt

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Metadata_SEC_298K_50mbar.txt

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Metadata_SEC_323K_100mbar.txt

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Metadata_SEC_323K_50mbar.txt

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Metadata_SEM.txt

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Metadata_XPS.txt

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NH3_298K_PAN-C1000_100 mbar_(Progress-vs-Time).csv

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NH3_298K_PAN-C1000_50 mbar_(Progress-vs-Time).csv

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NH3_298K_PAN-C1000_(Absolute-Isotherm).csv

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NH3_298K_PAN-C800_100 mbar_(Progress-vs-Time).csv

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NH3_298K_PAN-C800_50 mbar_(Progress-vs-Time).csv

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NH3_298K_PAN-C800_(Absolute-Isotherm).csv

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NH3_298K_PAN-C850_100 mbar_(Progress-vs-Time).csv

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NH3_298K_PAN-C850_50 mbar_(Progress-vs-Time).csv

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NH3_298K_PAN-C850_(Absolute-Isotherm).csv

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NH3_298K_PAN-C900_100 mbar_(Progress-vs-Time).csv

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NH3_298K_PAN-C900_50 mbar_(Progress-vs-Time).csv

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NH3_298K_PAN-C900_(Absolute-Isotherm).csv

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NH3_298K_PAN-C950_100 mbar_(Progress-vs-Time).csv

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NH3_298K_PAN-C950_50 mbar_(Progress-vs-Time).csv

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NH3_298K_PAN-C950_(Absolute-Isotherm).csv

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NH3_303K_PAN-C800_(Absolute-Isotherm).csv

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NH3_308K_PAN-C800_(Absolute-Isotherm).csv

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NH3_323K_PAN-C1000_100 mbar_(Progress-vs-Time).csv

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NH3_323K_PAN-C1000_50 mbar_(Progress-vs-Time).csv

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NH3_323K_PAN-C1000_(Absolute-Isotherm).csv

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NH3_323K_PAN-C800_100 mbar_(Progress-vs-Time).csv

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NH3_323K_PAN-C800_50 mbar_(Progress-vs-Time).csv

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NH3_323K_PAN-C800_(Absolute-Isotherm).csv

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NH3_323K_PAN-C850_100 mbar_(Progress-vs-Time).csv

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NH3_323K_PAN-C850_50 mbar_(Progress-vs-Time).csv

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NH3_323K_PAN-C850_(Absolute-Isotherm).csv

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NH3_323K_PAN-C900_100 mbar_(Progress-vs-Time).csv

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NH3_323K_PAN-C900_50 mbar_(Progress-vs-Time).csv

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NH3_323K_PAN-C900_(Absolute-Isotherm).csv

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NH3_323K_PAN-C950_100 mbar_(Progress-vs-Time).csv

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NH3_323K_PAN-C950_50 mbar_(Progress-vs-Time).csv

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NH3_323K_PAN-C950_(Absolute-Isotherm).csv

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PAN-C1000_1.tif

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PAN-C1000_2.tif

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PAN-C1000_3.tif

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PAN-C1000_4.tif

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Rawdatafiles_XPS.ZIP

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README.txt

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Overall explanation

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Results_Pore-Size-Distribution.txt

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