Fitting_parameter - BAMresearch/TGA-FTIR-hyphenation-tool-kit GitHub Wiki

The Fitting_parameter.xlsx is only used for the configuration of the deconvolution algorithm and it is only read if one of the fitting functions of the package is used.

The fitting functions TG_IR.fit(), tir.fits() and tir.robustness() call the method that is referenced in the first column of Fitting_patameter.xlsx.

Easily modifying Fitting_parameter.xlsx is intended, see initial values and bounds for further information.

There are several references included:

  • almarri2009: Almarri, Masoud, Xiaoliang Ma, and Chunshan Song. „Role of Surface Oxygen-Containing Functional Groups in Liquid-Phase Adsorption of Nitrogen Compounds on Carbon-Based Adsorbents“. Energy & Fuels 23, Nr. 8 (2009): 3940–47. doi: 10.1021/ef900051r.

  • ducousso2015: Ducousso, Marion, Elsa Weiss-Hortala, Ange Nzihou, and Marco J. Castaldi. „Reactivity Enhancement of Gasification Biochars for Catalytic Applications“. Fuel 159 (2015): 491–99. doi: 10.1016/j.fuel.2015.06.100.

  • figueiredo1999: Figueiredo, J. L, M. F. R Pereira, M. M. A Freitas, and J. J. M Órfão. „Modification of the surface chemistry of activated carbons“. Carbon 37, Nr. 9 (1999): 1379–89. doi: 10.1016/S0008-6223(98)00333-9.

  • figueiredo2007: Figueiredo, José L., Manuel F. R. Pereira, Maria M. A. Freitas, and José J. M. Órfão. „Characterization of Active Sites on Carbon Catalysts“. Industrial & Engineering Chemistry Research 46, Nr. 12 (2007): 4110–15. doi: 10.1021/ie061071v.

  • gorgulho2008: Gorgulho, Honória F., João P. Mesquita, Filomena Gonçalves, Manuel Fernando R. Pereira, and José L. Figueiredo. „Characterization of the Surface Chemistry of Carbon Materials by Potentiometric Titrations and Temperature-Programmed Desorption“. Carbon 46, Nr. 12 (2008): 1544–55. doi: 10.1016/j.carbon.2008.06.045.

  • li2011a: Li, Na, Xiaoliang Ma, Qingfang Zha, Kyungsoo Kim, Yongsheng Chen, and Chunshan Song. „Maximizing the Number of Oxygen-Containing Functional Groups on Activated Carbon by Using Ammonium Persulfate and Improving the Temperature-Programmed Desorption Characterization of Carbon Surface Chemistry“. Carbon 49, Nr. 15 (2011): 5002–13. doi: 10.1016/j.carbon.2011.07.015.

  • li2011b: Li, Na, Masoud Almarri, Xiao-liang Ma, and Qing-fang Zha. „The Role of Surface Oxygen-Containing Functional Groups in Liquid-Phase Adsorptive Denitrogenation by Activated Carbon“. New Carbon Materials 26, Nr. 6 (1. Dezember 2011): 470–78. https://doi.org/10.1016/S1872-5805(11)60093-0.

  • morales2014: Morales-Torres, Sergio, Tânia L. S. Silva, Luisa M. Pastrana-Martínez, Ana T. S. C. Brandão, José L. Figueiredo, and Adrián M. T. Silva. „Modification of the Surface Chemistry of Single- and Multi-Walled Carbon Nanotubes by HNO3 and H2SO4 Hydrothermal Oxidation for Application in Direct Contact Membrane Distillation“. Physical Chemistry Chemical Physics 16, Nr. 24 (2014): 12237–50. doi: 10.1039/C4CP00615A.

  • samant2004: Samant, Purnakala V., Filomena Gonçalves, Maria Madalena A. Freitas, Manuel Fernando R. Pereira, and José L. Figueiredo. „Surface Activation of a Polymer Based Carbon“. Carbon, Carbon ’03 Conference, 42, Nr. 7 (2004): 1321–25. doi: 10.1016/j.carbon.2004.01.034.

  • szymanski2002: Szymański, Grzegorz S, Zbigniew Karpiński, Stanisław Biniak, and Andrzej Świa̧tkowski. „The Effect of the Gradual Thermal Decomposition of Surface Oxygen Species on the Chemical and Catalytic Properties of Oxidized Activated Carbon“. Carbon 40, Nr. 14 (2002): 2627–39. doi: 10.1016/S0008-6223(02)00188-4.

  • zhou2007: Jing-Hong Zhou, Zhi-Jun Sui, Jun Zhu, Ping Li, De Chen, Ying-Chun Dai, and Wei-Kang Yuan. „Characterization of surface oxygen complexes on carbon nanofibers by TPD, XPS and FT-IR“. Carbon 45, Nr. 4 (2007): 785–96. doi: 10.1016/j.carbon.2006.11.019.

  • dittmann2022: Daniel Dittmann, Leon Saal, Frederik Zietzschmann, Maike Mai, Korinna Altmann, Dominik Al-Sabbagh, Pia Schumann, Aki S. Ruhl, Martin Jekel, and Ulrike Braun. "Characterization of activated carbons for water treatment using TGA-FTIR for analysis of oxygen-containing functional groups". Appl Water Sci 12, 203 (2022). 10.1007/s13201-022-01723-2.

This list is not conclusive and can be simly extended by adding further rows.