Molecular simulation of CH4, CO2, H2O and N2 molecules adsorption on heterogeneous surface models of coal
XQ Liu, X He, NX Qiu, X Yang, ZY Tian, MJ Li… - Applied Surface …, 2016 - Elsevier
Using the density functional theory (DFT) and grand canonical Monte Carlo (GCMC)
simulation, the adsorptions of each of an individual gas molecule (CH 4, CO 2, H 2 O or N 2) …
simulation, the adsorptions of each of an individual gas molecule (CH 4, CO 2, H 2 O or N 2) …
CO2 and H2S Removal from CH4-Rich Streams by Adsorption on Activated Carbons Modified with K2CO3, NaOH, or Fe2O3
MC Castrillon, KO Moura, CA Alves… - Energy & …, 2016 - ACS Publications
In this study, the adsorption of CO2 and H2S has been investigated on commercial activated
carbon Desorex K43 impregnated with K2CO3, NaOH, or Fe2O3 in order to assess their …
carbon Desorex K43 impregnated with K2CO3, NaOH, or Fe2O3 in order to assess their …
Activated carbon monoliths from lignocellulosic biomass waste for electrochemical applications
PO Ibeh, FJ García-Mateos, JM Rosas… - Journal of the Taiwan …, 2019 - Elsevier
The valorization of lignocellulosic biomass waste into bio-based materials is proposed in
this work in order to obtain low-cost materials and to reduce environmental impacts …
this work in order to obtain low-cost materials and to reduce environmental impacts …
Molecular simulations of carbon-based materials for selected CO2 separation and water treatment processes
Abstract Carbon-based materials (eg., activated carbons, carbon nanotubes, membranes)
made of graphene or graphene-oxide structures are attractive and versatile materials. They …
made of graphene or graphene-oxide structures are attractive and versatile materials. They …
New insights into the ideal adsorbed solution theory
The GCMC technique is used for simulation of adsorption of CO2–CH4, CO2–N2 and CH4–
N2 mixtures (at 298 K) on six porous carbon models. Next we formulate a new condition of …
N2 mixtures (at 298 K) on six porous carbon models. Next we formulate a new condition of …
Adsorption of CO2/CH4 Mixtures in a Molecular Model of Activated Carbon through Monte Carlo Simulations
In this article, a nanoporous carbon model based on units of polyaromatic molecules with
different number of rings is described. The adsorption isotherms of pure CO2, CH4 and …
different number of rings is described. The adsorption isotherms of pure CO2, CH4 and …
Evaluation of methane adsorption isotherms at ambient temperature on carbon materials from NLDFT pore size analysis derived from standard N2 and CO2 …
M Bałys, E Brodawka, J Jagiello - Chemical Engineering Research and …, 2024 - Elsevier
In this paper, we attempt to estimate CH 4 adsorption on carbon materials based on the pore
size distribution (PSD) characteristics evaluated from standard nitrogen and carbon dioxide …
size distribution (PSD) characteristics evaluated from standard nitrogen and carbon dioxide …
Dados fundamentais para projeto de processos de dessulfuração e upgrading de gases combustíveis por adsorção
MYDMC Castrilon - 2017 - repositorio.ufc.br
Neste estudo, foi investigada a adsorção de CH4, CO2 e H2S em carbonos ativados
comerciais com o intuito de avaliar o seu potencial para o uso em" upgrading" e …
comerciais com o intuito de avaliar o seu potencial para o uso em" upgrading" e …
[PDF][PDF] TÍTULO: Doctor en Física CEI: III Categoría CONICET: Inv. Adjunto. INSTITUCIÓN DE ORIGEN: UNSL
PAIP DE CURSOS, DE POSGRADO - unsl.edu.ar
OBJETIVOS: Introducir al alumno al estudio, modelado y caracterización de los medios con
estructura porosa. Contribuir al conocimiento de los procesos que ocurren en los materiales …
estructura porosa. Contribuir al conocimiento de los procesos que ocurren en los materiales …