Wettability of cellulose surfaces under the influence of an external electric field
Journal article, 2021

Hypothesis: Interfacial tensions play an important role in dewatering of hydrophilic materials like nanofibrillated cellulose, and are affected by the molecular organization of water at the interface. Application of an electric field influences the orientation of water molecules along the field direction. Hence, it should be possible to alter the interfacial free energies to tune the wettability of cellulose surface through application of an external electric field thus, aiding the dewatering process. Simulations: Molecular dynamics simulations of cellulose surface in contact with water under the influence of an external electric field have been conducted with GLYCAM-06 forcefield. The effect of variation in electric field intensity and directions on the spreading coefficient has been addressed via orientational preference of water molecules and interfacial free energy analyses. Findings: The application of electric field influences the interfacial free energy difference at the cellulose-water interface. The spreading coefficient increases with the electric field directed parallel to the cellulose-water interface while it decreases in the perpendicular electric field. Variation in interfacial free energies seems to explain the change in contact angle adequately in presence of an electric field. The wettability of cellulose surface can be tuned by the application of an external electric field.

Spreading coefficient

Potential of mean force

Free-energy

Molecular dynamics

Cellulose-water interface

Young's equation

Work of adhesion

Author

Nabin Kumar Karna

Royal Institute of Technology (KTH)

Chalmers, Chemistry and Chemical Engineering, Chemical Technology, Forest Products and Chemical Engineering

Jakob Wohlert

Royal Institute of Technology (KTH)

Anna Lidén

Chalmers, Chemistry and Chemical Engineering, Chemical Technology, Forest Products and Chemical Engineering

Tuve Mattsson

Royal Institute of Technology (KTH)

Chalmers, Chemistry and Chemical Engineering, Chemical Technology, Forest Products and Chemical Engineering

Hans Theliander

Chalmers, Chemistry and Chemical Engineering, Chemical Technology, Forest Products and Chemical Engineering

Royal Institute of Technology (KTH)

Journal of Colloid and Interface Science

0021-9797 (ISSN)

Vol. 589 347-355

Subject Categories

Physical Chemistry

Materials Chemistry

Other Chemistry Topics

DOI

10.1016/j.jcis.2021.01.003

PubMed

33476890

More information

Latest update

2/11/2021