INFORM April 2026

ARTIFICIAL INTELLIGENCE INFORM 19

OH

H-CH 3

OH

OH

H· ·CH 3

Catechol

Cresol

dehydroxylation

hydroxylation

OH

OH

demethylation

O

demethoxylation

dehydroxylation

methylation

Guaiacol

Phenol

Benzene

Toluene

dehydroxylation

methylation

methylation

demethylation

O

Polycondensation

Anisole

Xylene

Naphthalene

Proposed reaction pathway of guaiacol deoxygenation under a methane environment to form benzene, toluene, and xylene (BTX). Source: Kim, G., et al. , Cat. Today , 2025.

BIOMASS WASTE VALORIZATION AI tools are also accelerating efforts to convert biomass waste—crop residues, wood waste, and food byproducts—into higher-value products such as biofuels and chemicals. In particular, the valorization of biomass waste into bio-oil has the potential to reduce the world’s dependency on fossil fuels, converting agricultural wastes into liquid fuels identical to gasoline, diesel, and jet fuel. Unlike biodiesel, which consists of oxygen-rich fatty acid methyl esters, renewable diesel from biomass is made of fully saturated hydrocarbons. “Renewable

diesel is identical in molecular structure to petroleum based diesel,” says Hua Song, professor of chemical and petroleum engineering at the University of Calgary. In contrast, biodiesel is chemically distinct and must typically be blended at low levels with petroleum fuel to ensure engine performance. The first step in producing renewable fuel from biomass waste is fast pyrolysis, where biomass is rapidly heated without oxygen to form liquid bio‑oil, plus small amounts of syngas and biochar. This oxygen‑rich bio‑oil must then be upgraded through stabilization, hydrodeoxygenation, and catalytic cracking to create a hydrocarbon mixture. The

upgraded product can then be distilled into gasoline‑, diesel‑, or jet‑fuel‑range fractions. One of the most expensive and energy-intensive steps in biomass upgrading is hydrodeoxygenation, or the removal of oxygen from bio-oil, usually with large amounts of hydrogen. To reduce costs, Song and others have explored natural gas, or methane, as an alternative. Unlike hydrogen, methane is inexpensive, abundant, and naturally available. However, methane must be activated to form hydrogen atoms and methyl radicals, which requires a catalyst, typically noble metals.