Purely predictive method for density, compressibility, and expansivity for hydrocarbon mixtures and diesel and jet fuels up to high temperatures and pressures

This study presents a pseudo-component method using the Perturbed-Chain Statistical Associating Fluid Theory to predict density, isothermal compressibility, and the volumetric thermal expansion coefficient (expansivity) of hydrocarbon mixtures and diesel and jet fuels. The model is not fit to experimental density data but is predictive to high temperatures and pressures using only two calculated or measured mixture properties as inputs: the number averaged molecular weight and hydrogen to carbon ratio. Mixtures are treated as a single pseudo-component; therefore binary interaction parameters are not needed. Density is predicted up to 470 K and 3,500 bar for hydrocarbon mixtures and fuels with 1% average mean absolute percent deviation (MAPD). Isothermal compressibility is predicted with 4% average MAPD for hydrocarbon mixtures and 9% for fuels. The volumetric thermal expansion coefficient is predicted with 7% average MAPD for hydrocarbon mixtures and 13% for fuels

Draft Nuclear Genome Sequence of the Liquid Hydrocarbon-Accumulating Green Microalga Botryococcus braunii Race B (Showa).

Botryococcus braunii has long been known as a prodigious producer of liquid hydrocarbon oils that can be converted into combustion engine fuels. This draft genome for the B race of B. braunii will allow researchers to unravel important hydrocarbon biosynthetic pathways and identify possible regulatory networks controlling this unusual metabolism

Infrared spectroscopy for the determination of hydrocarbon types in jet fuels

The concentration of hydrocarbon types in conventional jet fuels and synfuels can be measured using a computerized infrared spectrophotometer. The computerized spectrophotometer is calibrated using a fuel of known aromatic and olefinic content. Once calibration is completed, other fuels can be rapidly analyzed using an analytical program built into the computer. The concentration of saturates can be calculated as 100 percent minus the sum of the aromatic and olefinic concentrations. The analysis of a number of jet fuels produced an average standard deviation of 1.76 percent for aromatic types and one of 3.99 percent for olefinic types. Other substances such as oils and organic mixtures can be analyzed for their hydrocarbon content

High energy-density liquid rocket fuel performance

A fuel performance database of liquid hydrocarbons and aluminum-hydrocarbon fuels was compiled using engine parametrics from the Space Transportation Engine Program as a baseline. Propellant performance parameters are introduced. General hydrocarbon fuel performance trends are discussed with respect to hydrogen-to-carbon ratio and heat of formation. Aluminum-hydrocarbon fuel performance is discussed with respect to aluminum metal loading. Hydrocarbon and aluminum-hydrocarbon fuel performance is presented with respect to fuel density, specific impulse, and propellant density specific impulse

Entropy scaling based viscosity predictions for hydrocarbon mixtures and diesel fuels up to extreme conditions

An entropy scaling based technique using the Perturbed-Chain Statistical Associating Fluid Theory is described for predicting the viscosity of hydrocarbon mixtures and diesel fuels up to high temperatures and high pressures. The compounds found in diesel fuels or hydrocarbon mixtures are represented as a single pseudo-component. The model is not fit to viscosity data but is predictive up to high temperatures and pressures with input of only two calculated or measured mixture properties: the number averaged molecular weight and hydrogen to carbon ratio. Viscosity is predicted less accurately when the mixture contains high concentrations of iso-alkanes and cyclohexanes. However, it is shown that predictions for these mixtures are improved by fitting a third parameter to a single viscosity data point at a chosen reference state. For hydrocarbon mixtures, viscosity is predicted with average mean absolute percent deviations (MAPDs) of 12.2% using the two-parameter model and 7.3% using the three-parameter model from 293 to 353 K and up to 1000 bar. For two different diesel fuels, viscosity is predicted with an average MAPD of 21.4% using the two-parameter model and 9.4% using the three-parameter model from 323 to 423 K and up to 3500 bar

Deposit formation in hydrocarbon rocket fuels

An experimental program was conducted to study deposit formation in hydrocarbon fuels under flow conditions that exist in high-pressure, rocket engine cooling systems. A high pressure fuel coking test apparatus was designed and developed and was used to evaluate thermal decomposition (coking) limits and carbon deposition rates in heated copper tubes for two hydrocarbon rocket fuels, RP-1 and commercial-grade propane. Tests were also conducted using JP-7 and chemically-pure propane as being representative of more refined cuts of the baseline fuels. A parametric evaluation of fuel thermal stability was performed at pressures of 136 atm to 340 atm, bulk fuel velocities in the range 6 to 30 m/sec, and tube wall temperatures in the range 422 to 811 K. Results indicated that substantial deposit formation occurs with RP-1 fuel at wall temperatures between 600 and 800 K, with peak deposit formation occurring near 700 K. No improvements were obtained when deoxygenated JP-7 fuel was substituted for RP-1. The carbon deposition rates for the propane fuels were generally higher than those obtained for either of the kerosene fuels at any given wall temperature. There appeared to be little difference between commercial-grade and chemically-pure propane with regard to type and quantity of deposit. Results of tests conducted with RP-1 indicated that the rate of deposit formation increased slightly with pressure over the range 136 atm to 340 atm. Finally, lating the inside wall of the tubes with nickel was found to significantly reduce carbon deposition rates for RP-1 fuel

Thermal Stability of Distillate Hydrocarbon Fuels

Thermal stability of fuels is expected to become a severe problem in the future due to the anticipated use of broadened specification and alternative fuels. Future fuels will have higher contents of heteroatomic species which are reactive constituents and are known to influence fuel degradation. To study the degradation chemistry of selected model fuels, n-dodecane and n-dodecane plus heteroatoms were aerated by bubbling air through the fuels amd stressed on a modified Jet Fuel Thermal Oxidation Tester facility operating at heater tube temperatures between 200 to 400 C. The resulting samples were fractionated to concentrate the soluble products and then analyzed using gas chromatographic and mass spectrometric techniques to quantify and identify the stable reaction intermediate and product specifically. Heteroatom addition showed that the major soluble products were always the same, with and without heteroatoms, but their distributions varied considerably

High performance, high density hydrocarbon fuels

The fuels were selected from 77 original candidates on the basis of estimated merit index and cost effectiveness. The ten candidates consisted of 3 pure compounds, 4 chemical plant streams and 3 refinery streams. Critical physical and chemical properties of the candidate fuels were measured including heat of combustion, density, and viscosity as a function of temperature, freezing points, vapor pressure, boiling point, thermal stability. The best all around candidate was found to be a chemical plant olefin stream rich in dicyclopentadiene. This material has a high merit index and is available at low cost. Possible problem areas were identified as low temperature flow properties and thermal stability. An economic analysis was carried out to determine the production costs of top candidates. The chemical plant and refinery streams were all less than 44 cent/kg while the pure compounds were greater than 44 cent/kg. A literature survey was conducted on the state of the art of advanced hydrocarbon fuel technology as applied to high energy propellents. Several areas for additional research were identified

Effect of hydrocarbon fuel type on fuel

A modified jet fuel thermal oxidation tester (JFTOT) procedure was used to evaluate deposit and sediment formation for four pure hydrocarbon fuels over the temperature range 150 to 450 C in 316-stainless-steel heater tubes. Fuel types were a normal alkane, an alkene, a naphthene, and an aromatic. Each fuel exhibited certain distinctive deposit and sediment formation characteristics. The effect of aluminum and 316-stainless-steel heater tube surfaces on deposit formation for the fuel n-decane over the same temperature range was investigated. Results showed that an aluminum surface had lower deposit formation rates at all temperatures investigated. By using a modified JFTOT procedure the thermal stability of four pure hydrocarbon fuels and two practical fuels (Jet A and home heating oil no. 2) was rated on the basis of their breakpoint temperatures. Results indicate that this method could be used to rate thermal stability for a series of fuels

General method for prediction of thermal conductivity for well-characterized hydrocarbon mixtures and fuels up to extreme conditions using entropy scaling

A general and efficient technique is developed to predict the thermal conductivity of well-characterized hydrocarbon mixtures, rocket propellant (RP) fuels, and jet fuels up to high temperatures and high pressures (HTHP). The technique is based upon entropy scaling using the group contribution method coupled with the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) equation of state. The mixture number averaged molecular weight and hydrogen to carbon ratio are used to define a single pseudo-component to represent the compounds in a well-characterized hydrocarbon mixture or fuel. With these two input parameters, thermal conductivity predictions are less accurate when the mixture contains significant amounts of iso-alkanes, but the predictions improve when a single thermal conductivity data point at a reference condition is used to fit one model parameter. For eleven binary mixtures and three ternary mixtures at conditions from 288 to 360 K and up to 4,500 bar, thermal conductivities are predicted with mean absolute percent deviations (MAPDs) of 16.0 and 3.0% using the two-parameter and three-parameter models, respectively. Thermal conductivities are predicted for three RP fuels and three jet fuels at conditions from 293 to 598 K and up to 700 bar with MAPDs of 14.3 and 2.0% using the two-parameter and three-parameter models, respectively