Graphene-based materials from liquid phase exfoliation of graphite using mangosteen-peel extract: Experiments and molecular simulation: Experiments and Molecular Simulation

Piyaphat  THEPPHOT; Narissara  KARAKATE; Panu DANWANICHAKUL

doi:10.55713/jmmm.v36i3.2423

Authors

Piyaphat THEPPHOT Department of Chemical Engineering, Thammasat School of Engineering, Faculty of Engineering, Thammasat University, 99 Moo 2, Paholyothin Rd., Klong-Nung, Klong-Luang, Pathumthani, 12120, Thailand
Narissara KARAKATE Department of Chemical Engineering, Thammasat School of Engineering, Faculty of Engineering, Thammasat University, 99 Moo 2, Paholyothin Rd., Klong-Nung, Klong-Luang, Pathumthani, 12120, Thailand
Panu DANWANICHAKUL Department of Chemical Engineering, Thammasat School of Engineering, Faculty of Engineering, Thammasat University, 99 Moo 2, Paholyothin Rd., Klong-Nung, Klong-Luang, Pathumthani, 12120, Thailand

DOI:

https://doi.org/10.55713/jmmm.v36i3.2423

Keywords:

Graphene, Graphite exfoliation, Mangosteen peel, Condensed tannin, Molecular simulation

Abstract

The conventional Hummers method for graphene production requires large quantities of hazardous chemicals, causing environmental impacts and sustainability concerns. This study investigated mangosteen-peel extract as a natural alternative in liquid phase exfoliation of graphite, exploiting the structural similarity between condensed tannins and graphite, which enables π−π interactions. Four exfoliation processes were studied: shear force via a homogenizer (9,500 rpm and 14,000 rpm for 41 min), sonication using an ultrasound bath (200 W and 400 kHz) for 2 h and 3 h at 50℃ and their sequential combinations. The results confirmed successful graphite exfoliation yielding samples with I2D/IG ratios of 0.51 to 0.55 which are comparable to commercial graphene-based products. This was also verified by the increased specific surface area using BET analysis and TEM imaging showing structures with five and more layers. The yields of exfoliated products from all processes were 4.39% to 8.5%. Lastly, Molecular dynamics simulation revealed that when changes of van der Waals interactions were considered, increasing condensed tannin concentration exerted the greatest effect on graphite exfoliation, followed by increases in pressure and temperature. This research demonstrates the potential use of mangosteen-peel extract as an environmentally friendly alternative for multi-layer graphene production.

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