Novel Fuel Technologies: Synthesis, Production and Property Analysis

A special issue of Processes (ISSN 2227-9717). This special issue belongs to the section "Sustainable Processes".

Deadline for manuscript submissions: 31 October 2025 | Viewed by 1008

Special Issue Editors


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Guest Editor
Department of Mechanical and Construction Engineering, Northumbria University, Newcastle upon Tyne NE1 8ST, UK
Interests: hydrogen; combustion; alternative fuels; engines

Special Issue Information

Dear Colleagues,

Given the growing concerns about air pollution and global warming, increasingly strict regulations have been released to restrain the pollutants and carbon dioxide emitted by burning fossil fuels. Novel fuels which are produced from renewable resources or emit lower pollutants have the potential to reduce pollutant and carbon emissions if widely applied in many industries. Consequently, the properties and performance of these novel fuels are of paramount importance prior to commercialization.

This Special Issue, titled “Novel Technologies: Synthesis, Production and Property Analysis”, seeks high-quality works focusing on the synthesis, production and properties of newly developed fuels. Topics include the following:

  • Renewable/alternative fuels, e.g., biofuels, synthetic fuels, hydrogen, carbon-free fuels, etc.
  • Fuel production and properties.
  • Spray and combustion.
  • Pollutant emissions.
  • Engines and generators.

Dr. Yiji Lu
Dr. Zhichao Zhang
Guest Editors

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Keywords

  • fuel
  • properties
  • fuel production
  • pollution
  • spray
  • combustion

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Published Papers (1 paper)

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Research

17 pages, 5520 KiB  
Article
Insights of Density Functional Theory into JP-10 Tetrahydrodicyclopentadiene Fuel Properties
by Dilip Rijal, Vladislav Vasilyev, Yunxia Yang and Feng Wang
Processes 2025, 13(2), 543; https://doi.org/10.3390/pr13020543 - 14 Feb 2025
Viewed by 622
Abstract
This study aims to investigate the structural, spectroscopic, and electronic properties of the synthetic missile fuel exo- and endo-tetrahydrodicyclopentadiene (THDCPD, JP-10) using density functional theory (DFT). It is to understand the dominance of the liquid exo-isomer (96%) of the jet fuel from the [...] Read more.
This study aims to investigate the structural, spectroscopic, and electronic properties of the synthetic missile fuel exo- and endo-tetrahydrodicyclopentadiene (THDCPD, JP-10) using density functional theory (DFT). It is to understand the dominance of the liquid exo-isomer (96%) of the jet fuel from the subtle differences between the isomers. The present DFT calculations reveal that the exo-isomer is 15.51 kJ/mol more stable than the endo-isomer, attributed to the flipping of the triangular ΔC8-C10-C9 ring in its norbornane skeleton. Calculated nuclear magnetic resonance (13C-NMR) and infrared (IR) spectra, validated by experimental data, reveal larger chemical shifts for junction carbons (C1/C2 and C3/C4) due to reduced electron shielding and show distinct vibrational patterns. Charge analysis indicates that all carbon atoms are negatively charged except for the C1/C2 carbons which are positively charged in both isomers. While overall IR spectra of the isomers appear similar, bands near 3000 cm−1 correspond to distinctly different vibrational modes. The exo-isomer’s electronic structure features a more delocalized HOMO and a larger HOMO-LUMO gap (7.63 eV) than the endo-isomer (7.37 eV). All such differences contribute to the properties of exo-THDCPD and, therefore, why the exo-isomer dominates JP-10 fuel. Full article
(This article belongs to the Special Issue Novel Fuel Technologies: Synthesis, Production and Property Analysis)
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