Influence of synthesis conditions and heat treatment on the structure of Ti3SiC2-derived carbons

Bae, Jun-Seok, Nguyen, Thanh X. and Bhatia, Suresh K. (2010) Influence of synthesis conditions and heat treatment on the structure of Ti3SiC2-derived carbons. Journal of Physical Chemistry C, 114 2: 1046-1056. doi:10.1021/jp9081917


Author Bae, Jun-Seok
Nguyen, Thanh X.
Bhatia, Suresh K.
Title Influence of synthesis conditions and heat treatment on the structure of Ti3SiC2-derived carbons
Formatted title
Influence of synthesis conditions and heat treatment on the structure of Ti3SiC2-derived carbons
Journal name Journal of Physical Chemistry C   Check publisher's open access policy
ISSN 1932-7447
1932-7455
Publication date 2010-01-21
Sub-type Article (original research)
DOI 10.1021/jp9081917
Volume 114
Issue 2
Start page 1046
End page 1056
Total pages 11
Place of publication Washington, DC, United States
Publisher American Chemical Society
Collection year 2011
Language eng
Subject 0904 Chemical Engineering
090401 Carbon Capture Engineering (excl. Sequestration)
Formatted abstract
 We investigate the characterization and adsorption modeling of Ti3SiC2-derived carbons (Ti3SiC2-DCs) prepared by chlorination at three temperatures (600, 800, and 1000 °C) as well as samples heat-treated at 1100 °C for one and three day periods. The modeling exploits our recent finite wall thickness model-based density functional theory approach (Nguyen, T. X.; Bhatia, S. K. Langmuir 2004, 20, 3532), utilizing experimental adsorption isotherms of Ar at 87 K for the characterization. In general, characterization results show that the carbon wall structure of carbide-derived carbons (CDCs) is precursor-inherited, and Ti3SiC2-DCs have predominantly graphitic walls whose helium density is close to the true density of graphite (2.27 g/cm3), while SiC-derived carbons (SiC-DCs) have predominantly diamond-like walls whose helium density approaches the true density of diamond (3.52 g/cm3). This precursor-inherited character is also seen to give rise to two distinct evolutions of the pore structure of Ti3SiC2-DCs and SiC-DCs under chlorination temperature or post-heat-treatment conditions. In particular, both pore enlargement and opening are observed for Ti3SiC2-DCs, but only pore opening, especially in the region of smallest pores (<5 Å), is found for SiC-DCs. For adsorption modeling results, the ordering of pore network accessibility, Ar at 87 K < CH4 at (313K and 333K) < CO2 at or above 273 K, has been specifically found for the Ti3SiC2-DC samples prepared by chlorination at 800 °C, providing high CO2/CH4 selectivity by the carbon. Heat treatment of this sample at 1100 °C for a 1 day period gives rise to significant improvement of pore network accessibility but subtle change in pore bodies. Finally, shrinkage is found for all investigated CDCs and the 1 day heat-treated sample, but swelling is found for the 3 day heat-treated carbon sample, under high-pressure CO2 adsorption conditions. © 2010 American Chemical Society.
Keyword Carbide derived carbon
Reverse Monte-Carlo
Pore-size
Nanoporous Carbon
silicon carbide
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ
Additional Notes Publication Date (Web): December 28, 2009

Document type: Journal Article
Sub-type: Article (original research)
Collections: School of Chemical Engineering Publications
Official 2011 Collection
 
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Created: Sun, 24 Jan 2010, 00:03:47 EST