Property predictions demonstrate that structural diversity can improve the performance of polyoxymethylene ethers as potential bio-based diesel fuels

FUEL

卷:295

Article

Bartholet, Danielle L.¹  Arellano-Trevino, Martha A.³  Chan, Fan Liang²  Lucas, Stephen²  Zhu, Junqing⁴  St John, Peter C.³  Alleman, Teresa L.³  McEnally, Charles S.⁴  Pfefferle, Lisa D.⁴  Ruddy, Daniel A.³  Windom, Bret²  Foust, Thomas D.^2,3  Reardon, Kenneth F.^1,2 

[1] Colorado State Univ, Dept Chem & Biol Engn, Campus Delivery 1370, Ft Collins, CO 80523 USA

[2] Colorado State Univ, Dept Mech Engn, Campus Delivery 1374, Ft Collins, CO 80523 USA

[3] Catalyt Carbon Transformat & Scale Up Ctr, Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA

[4] Yale Univ, Dept Chem & Environm Engn, 9 Hillhouse Ave, New Haven, CT 06520 USA

关键词: Oxygenate;    Polyoxymethylene ether;    Diesel blendstock;    Fuel property predictions;    Soot formation;    Biofuel;   

DOI  :  10.1016/j.fuel.2021.120509

来源: Elsevier

【 摘 要 】

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.

【 授权许可】

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