Theoretical Study of Electron Interaction from Glucose Molecule in Aqueous Phase

In this study, we present a comprehensive investigation of electron interactions with β-D glucose in both the gaseous and aqueous phases in an energy range of (10-5000) eV. The inelastic and total scattering cross sections were calculated using the spherical complex optical potential (SCOP) formalism, while the ionization scattering cross section was obtained using the complex scattering potential-ionization contribution (CSP-ic) method. For the aqueous phase, we further computed the inelastic mean free path (IMFP), the mass stopping power (MSP), and the absorbed dose (D) within the same energy range. We also compared our computed data with the available literature to ensure consistency and validate the computational approach. These parameters provide critical insights into energy deposition by the intermediate- and high-energy electrons, which is fundamental to understanding and optimizing plasma-assisted pretreatment of lignocellulosic biomass for enhanced structural breakdown and conversion efficiency.

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Publication Details

Journal
The Journal of Physical Chemistry B
Published
2025-08-08
DOI
https://doi.org/10.1021/acs.jpcb.5c03399
Primary Topic
Electrohydrodynamics and Fluid Dynamics
Type
article
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article

Theoretical Study of Electron Interaction from Glucose Molecule in Aqueous Phase

Bobby Antony, Meenu Pandey
1 links
The Journal of Physical Chemistry B
Electrohydrodynamics and Fluid Dynamics
article

Theoretical Study of Electron Interaction from Glucose Molecule in Aqueous Phase

Bobby Antony, Meenu Pandey
article en

Abstract

In this study, we present a comprehensive investigation of electron interactions with β-D glucose in both the gaseous and aqueous phases in an energy range of (10-5000) eV. The inelastic and total scattering cross sections were calculated using the spherical complex optical potential (SCOP) formalism, while the ionization scattering cross section was obtained using the complex scattering potential-ionization contribution (CSP-ic) method. For the aqueous phase, we further computed the inelastic mean free path (IMFP), the mass stopping power (MSP), and the absorbed dose (D) within the same energy range. We also compared our computed data with the available literature to ensure consistency and validate the computational approach. These parameters provide critical insights into energy deposition by the intermediate- and high-energy electrons, which is fundamental to understanding and optimizing plasma-assisted pretreatment of lignocellulosic biomass for enhanced structural breakdown and conversion efficiency.

The Journal of Physical Chemistry BVol. 129(33)
Indian Institute of Technology Dhanbad (IN), Institutul de Fizică Atomică (RO)
Affordable and clean energy
Openalex Percentile: Top 82%
Electrohydrodynamics and Fluid Dynamics
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Theoretical Study of Electron Interaction from Glucose Molecule in Aqueous Phase — Bobby Antony, Meenu Pandey · The Journal of Physical Chemistry B (2025) | TGRS Research Map | TGRS