Molecular simulations for energy, environmental and pharmaceutical applications of nanoporous materials: from zeolites, metal–organic frameworks to protein crystals

J Jiang, R Babarao, Z Hu - Chemical Society Reviews, 2011 - pubs.rsc.org
Nanoporous materials have widespread applications in chemical industry, but the pathway
from laboratory synthesis and testing to practical utilization of nanoporous materials is …

Bioethanol dehydration: State of the art

AK Frolkova, VM Raeva - Theoretical foundations of chemical engineering, 2010 - Springer
This article is a survey of the present-day methods of dehydration of ethanol resulting from
fermentation processes. The existing separation techniques for water-ethanol mixtures of …

Selective permeation of water through angstrom‐channel graphene membranes for bioethanol concentration

X Chen, S Mohammed, G Yang, T Qian… - Advanced …, 2020 - Wiley Online Library
Graphene‐based laminate membranes have been theoretically predicted to selectively
transport ethanol from ethanol–water solution while blocking water. Here, robust angstrom …

Hydrogen bonding effects in adsorption of water− alcohol mixtures in zeolites and the consequences for the characteristics of the Maxwell− Stefan diffusivities

R Krishna, JM van Baten - Langmuir, 2010 - ACS Publications
This work highlights a variety of peculiar characteristics of adsorption and diffusion of polar
molecules such as water, methanol and ethanol in zeolites. These peculiarities are …

Adsorption characteristics of zeolites for dehydration of ethanol: Evaluation of diffusivity of water in porous structure

T Yamamoto, YH Kim, BC Kim, A Endo… - Chemical Engineering …, 2012 - Elsevier
The adsorption characteristics of zeolites with different framework structures and different
exchanged cation species were examined with a view to using zeolites as adsorbents for the …

Nanocrystalline BEA-CNT Composites with High Metal Dispersion Obtained via Inter-Zeolite Transformation for Antibacterial Application

P Iadrat, J Jongthong, A Prasertsab… - … Applied Materials & …, 2023 - ACS Publications
The rational design of interface materials containing carbon nanotubes (CNTs) and zeolites
(zeolite-CNTs) is a promising perspective in chemical and biochemical communities …

Adsorption and diffusion of water, methanol, and ethanol in all-silica DD3R: experiments and simulation

J Kuhn, JM Castillo-Sanchez, J Gascon… - The Journal of …, 2009 - ACS Publications
This study comprises both experimental measurement as well as molecular modeling of the
adsorption of water, methanol, and ethanol on the hydrophobic all-silica decadodecasil 3R …

TGA investigation of water and ethanol adsorption over LTA zeolites

A Chaibi, Y Boucheffa… - … and Mesoporous Materials, 2021 - Elsevier
In absolute ethanol production, LTA zeolites (3A and 4A) are industrially used because of
their selectivity and affinity to water. Despite the numerous studies performed on these …

Molecular simulations on nanoconfined water molecule behaviors for nanoporous material applications

Y Zhu, J Zhou, X Lu, X Guo, L Lu - Microfluidics and nanofluidics, 2013 - Springer
Nanoporous materials applications have been increasingly applied in energy and
environmental fields. Nanoconfined water behaviors play important roles in the application …

Taking ethanol quality beyond fuel grade: A review

S Onuki, JA Koziel, WS Jenks, L Cai… - Journal of the …, 2016 - Wiley Online Library
Ethanol production in the United States approached 15 billion gal/year in 2015. Only about
2.5% of this was food‐grade alcohol, but this represents a higher‐value product than fuels or …