Blend Prediction Model for Vapor Pressure of Jet Fuel Range Hydrocarbons

Details

• Creators:
  Boehm, Randall C. ; Parker, Robert ; Yang, Zhibin ; Dooley, Stephen ; Heyne, Joshua
• Corporate Creators:
  United States. Department of Transportation. Federal Aviation Administration. Center of Excellence for Alternative Jet Fuels and Environment ; Washington State University
• Corporate Contributors:
  United States. Department of Transportation. Federal Aviation Administration. Office of Environment and Energy
• Subject/TRT Terms:
  Aviation Fuels Hydrocarbons NetZero Aviation Sustainable Transportation Vapor Liquid Equilibrium Vapor Pressure
• Publication/ Report Number:
  sustainability-17-09612
• DOI:
  https:// doi.org/10.3390/su17219612
• Resource Type:
  Journal Article
• Right Statement:
  Open Access; https://creativecommons.org/licenses/by/4.0/
• Geographical Coverage:
  United States
• Corporate Publisher:
  MDPI
• Abstract:
  The ability to predict the vapor pressure and vapor-phase composition of hydrocarbon mixtures (such as jet fuel, sustainable aviation fuel or its un-refined precursors) and partially vaporized hydrocarbon mixtures is important to simulations of processes that involve vaporization such as distillations, flash points, combustion properties of partially vaporized fuels, etc. Raoult’s Law provides a simple algebraic formula relating liquid composition and temperature to vapor composition and pressure. However, Raoult’s Law is not accurate at low mole fractions, which is typical for complex mixtures such as fuels. A common approach to correcting Raoult’s Law is to apply a scale factor, a so-called activity coefficient. Numerous models exist for predicting activity coefficients. Here we benchmark against the UNIFAC model, which predicts activity coefficients based on mole fractions, group fractions, Van derWaals volume and surface area and temperature-dependent interaction terms between groups. While this approach is truly predictive, its accuracy at very low mole fractions has not been validated, and it is computationally intensive, particularly for simulations (especially optimizations) that require vapor composition or pressure within the inner-most loop. Here we present an alternative correction to Raoult’s law, where the vapor pressure of the ith component is represented by a modified form of the Clausius–Clapeyron equation.
• Content Notes:
  This is an open access article under the terms of the Creative Commons Attribution 4.0 International (CC BY 4.0) license https://creativecommons.org/licenses/by/4.0/. Please cite this article as: Boehm, R.C.; Parker, R.; Yang, Z.; Dooley, S.; Heyne, J.S. Blend Prediction Model for Vapor Pressure of Jet Fuel Range Hydrocarbons. Sustainability 2025, 17, 9612. https:// doi.org/10.3390/su17219612
• Format:
  PDF
• Funding:
  13-C-AJFE-WaSU-035, 044
• Collection(s):
  Federal Aviation Administration
• Main Document Checksum:
  urn:sha-512:015c478a3101294cd81e937692f6ff8951a1156c7b1d48cd99ddab477a79ee4b6b14191dce0f35164f0c72d9f01b0ddc221edc10a482b82530b15129d23fdb5d
• Download URL:
  https://rosap.ntl.bts.gov/view/dot/88018/dot_88018_DS1.pdf
• File Type:
  [PDF - 2.99 MB ]