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Updated: Jan 26, 2026

Surface Properties of Synthesized Nanoporous Carbon and Silica Matrices
Published on: March 27, 2019
Geometrical structure data of nanoporous carbon systems obtained from computer simulated pyrolysis
Jesús Muñiz1, Néstor David Espinosa-Torres1, Alfredo Guillén-López1
1Instituto de Energías Renovables, Universidad Nacional Autónoma de México, Priv. Xochicalco s/n, Col. Centro, Temixco, Morelos. CP 62580, Mexico.
Abstract:
This article contains data on nanoporous carbon materials coming from lignocellulosic components. Such data is directly related to the research paper "Insights into the design of carbon electrodes coming from lignocellulosic components pyrolysis with potential application in energy storage devices: A combined in silico and experimental study" [1]. In this work, the geometrical parameters of nanoporous carbon systems were found with Molecular Dynamics (MD) simulations at the ReaxFF level. The tridimensional structures of such carbon systems are given in Cartesian coordinates. They were computed at different heating rates, simulating the conditions observed in pyrolysis processes of Agave angustifolia leaves, which were carried out in a solar furnace. Nanoporous carbon systems are characterized with radial distribution functions (RDF) and ring distribution profiles.
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