Optimizing biodiesel production from waste with computational chemistry, machine learning and policy insights: a review

• Published in: Environmental chemistry letters 2024-06, Vol.22 (3), p.1005-1071
• Main Authors: Osman, Ahmed I., Nasr, Mahmoud, Farghali, Mohamed, Rashwan, Ahmed K., Abdelkader, Adel, Al-Muhtaseb, Ala’a H., Ihara, Ikko, Rooney, David W.
• Format: Article
• Language: English
• Subjects: Algae; Alternative fuels; Analytical Chemistry; Animal fat; animal fats and oils; Animal learning; biodiesel; Biodiesel fuels; Biofuels; biomass; Catalysts; Computational chemistry; Computer applications; Cooking; Cooking oils; Design optimization; Diesel; Dynamic stability; Earth and Environmental Science; Ecotoxicology; energy; Energy policy; Environment; Environmental Chemistry; feedstocks; Fish; Fish oils; fish waste; Fish wastes; Food waste; Fossil fuels; Geochemistry; Health problems; issues and policy; Learning algorithms; Lipids; Machine learning; microalgae; Molecular dynamics; Municipal solid waste; Municipal waste management; Oil; Oil wastes; Palm oil; palm oils; Phytoplankton; Pollution; Raw materials; Renewable energy; Review Article; Sewage; Sewage sludge; Sludge; Solid waste management; Solid wastes; Soybeans; Stability analysis; Transesterification; vegetable oil; Vegetable oils; Vegetables; Waste materials
• ISSN: 1610-3653; 1610-3661
• DOI: 10.1007/s10311-024-01700-y

The excessive reliance on fossil fuels has resulted in an energy crisis, environmental pollution, and health problems, calling for alternative fuels such as biodiesel. Here, we review computational chemistry and machine learning for optimizing biodiesel production from waste. This article presents computational and machine learning techniques, biodiesel characteristics, transesterification, waste materials, and policies encouraging biodiesel production from waste. Computational techniques are applied to catalyst design and deactivation, reaction and reactor optimization, stability assessment, waste feedstock analysis, process scale-up, reaction mechanims, and molecular dynamics simulation. Waste feedstock comprise cooking oil, animal fat, vegetable oil, algae, fish waste, municipal solid waste and sewage sludge. Waste cooking oil represents about 10% of global biodiesel production, and restaurants alone produce over 1,000,000 m 3 of waste vegetable oil annual. Microalgae produces 250 times more oil per acre than soybeans and 7–31 times more oil than palm oil. Transesterification of food waste lipids can produce biodiesel with a 100% yield. Sewage sludge represents a significant biomass waste that can contribute to renewable energy production.