Abstract
In this work, the textural parameters of graphene oxide (GO) and graphite (Gr) samples were determined. The non-local density functional theory (NLDFT) and quenched solid density functional theory (QSDFT) kernels were used to evaluate the pore size distribution (PSD) by modeling the pores as slit, cylinder and slit-cylinder. The PSD results were compared with the immersion enthalpies obtained using molecules with different kinetic diameter (between 0.272 nm and 1.50 nm). Determination of immersion enthalpy showed to track PSD for GO and graphite (Gr), which was used as a comparison solid. Additionally, the functional groups of Gr and GO were determined by the Boehm method. Donor number (DN) Gutmann was used as criteria to establish the relationship between the immersion enthalpy and the parameter of the probe molecules. It was found that according to the Gutmann DN the immersion enthalpy presented different values that were a function of the chemical groups of the materials. Finally, the experimental and modeling results were critically discussed.
Subject
General Materials Science,General Chemical Engineering
Reference103 articles.
1. The chemistry of graphene oxide
2. Grafeno: Aplicações e tendências tecnológicas;De Jesus;Dep. Process. Orgânicos,2012
3. Optimization of the synthesis procedures of graphene and graphite oxide;Lavín;Recent Adv. Graphene Res.,2016
4. Nanoestructura de carbono (nanotubos, grafeno): Quo vadis?;Zardin;Química Nova,2013
5. Fast and Facile Preparation of Graphene Oxide and Reduced Graphene Oxide Nanoplatelets
Cited by
10 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献