Work

A mechanistic study of hydrogen-bonding interactions between phenolic bio-oil constituents and VOCs: implications for emission mitigation in asphalt binders

Year: 2026

Type: article

Abstract: Asphalt pavements are a significant yet often overlooked source of volatile organic compounds (VOCs), whose continuous emission accelerates binder aging and contributes to air pollution. This study investigates the mechanistic role of phenol-rich bio-oils produced from wood pellets (WP) in a mechanistic basis for potential mitigation VOCs emission through a fundamental molecular approach. Using Density Functional Theory (DFT) calculations, complemented by with FT-IR and 1 H NMR spectroscopy, we characterize the hydrogen-bonding interactions between VOCs molecules and phenolic monomers. FT-IR and NMR analyses corroborate these predictions through red-shifted bands and reduced absorption intensities indicative of WPn…VOCs association. Our findings reveal that the formation of stable WPn…VOCs complexes significantly restricts VOCs mobility at the molecular scale. This molecular stabilization offers a promising strategy for designing next-generation asphalt binders with reduced environmental impact and enhanced potential for long-term durability.

Source: Scientific Reports

DOI: 10.1038/s41598-026-51467-1

Authors: Mohammad Almasi, Razieh Sadat Neyband

Institution: Malayer University

Language: English

Topic: Asphalt Pavement Performance Evaluation

Subfield: Civil and Structural Engineering

Field: Engineering

Domain: Physical Sciences

SDGs: Responsible consumption and production, Climate action

Open Access status: gold

Estimated APC paid: $2,690