Property predictions demonstrate that structural diversity can improve the performance of polyoxymethylene ethers as potential bio-based diesel fuels
| Autor: | Bret Windom, Fan Liang Chan, Teresa L. Alleman, Stephen Lucas, Peter C. St. John, Daniel A. Ruddy, Kenneth F. Reardon, Martha A. Arellano-Treviño, Lisa D. Pfefferle, Junqing Zhu, Danielle Bartholet, Thomas D. Foust, Charles S. McEnally |
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| Rok vydání: | 2021 |
| Předmět: |
Polyoxymethylene
020209 energy General Chemical Engineering Organic Chemistry Energy Engineering and Power Technology Structural diversity Biomass 02 engineering and technology Particulates medicine.disease_cause Combustion Soot Liquid fuel Diesel fuel chemistry.chemical_compound Fuel Technology 020401 chemical engineering chemistry 0202 electrical engineering electronic engineering information engineering medicine Environmental science Biochemical engineering 0204 chemical engineering |
| Zdroj: | Fuel. 295:120509 |
| ISSN: | 0016-2361 |
| Popis: | High emissions of particulate matter from diesel engines presents a serious risk to human health and the environment. The addition of oxygenated molecules to diesel fuels has been shown to reduce soot formation during combustion. Polyoxymethylene ethers (POMEs) are a novel class of oxygenated molecules that can be produced from biomass and that have the potential to be used as soot-reducing diesel fuel blendstocks. However, only a few variations of these molecules have been studied thus far, and those that have been characterized present significant disadvantages that could compromise current liquid fuel systems and diesel engines. Using a variety of structure–activity models, we evaluated 67 POMEs to predict the effects of structural variations on important fuel properties. Prediction accuracy was assessed by comparing predictions with measurements for a subset of structures. Nine POME molecules were identified as having potential to reduce soot formation by over 75% compared to conventional diesel fuels while being compatible with current liquid fuel infrastructure, maintaining optimal engine performance, and presenting a minimal risk to the environment. None of these nine POMEs has been previously identified as a potential diesel blendstock. This is the first evaluation of POMEs as a class of molecules and the results guide research on the synthesis, properties, and engine performance of POMEs. |
| Databáze: | OpenAIRE |
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