Density, Viscosity, and Surface Tension of Liquid Quinoline, Naphthalene, Biphenyl, Decafluorobiphenyl, and 1,2-Diphenylbenzene from 300 to 400 °C

Grzyll, Lawrence R.; Ramos, Charlie; Back, Dwight D.

doi:10.1021/je950266z

Cited by 31 publications

(11 citation statements)

References 8 publications

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“…Interpolation of experimental data 60 suggests a viscosity of 0.92 cP at 358.15 K. Our simulation estimates show remarkable agreement: lower by 1% −3%. Analogous interpolation of other experimental data 59 suggests a viscosity of 0.62 cP at 400 K; our simulation estimates are lower by 6% −10%. Extrapolation suggests an experimental viscosity at 458.15 K of 0.36 cP; the simulation prediction is about 11% smaller.…”

Section: Relaxation Time Diffusion and Viscosity For Naphthalenesupporting

confidence: 86%

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Relaxation time, diffusion, and viscosity analysis of model asphalt systems using molecular simulation

Zhang

Greenfield

2007

The Journal of Chemical Physics

185

131

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Molecular dynamics simulation was used to calculate rotational relaxation time, diffusion coefficient, and zero-shear viscosity for a pure aromatic compound ͑naphthalene͒ and for aromatic and aliphatic components in model asphalt systems over a temperature range of 298-443 K. The model asphalt systems were chosen previously to represent real asphalt. Green-Kubo and Einstein methods were used to estimate viscosity at high temperature ͑443.15 K͒. Rotational relaxation times were calculated by nonlinear regression of orientation correlation functions to a modified Kohlrausch-Williams-Watts function. The Vogel-Fulcher-Tammann equation was used to analyze the temperature dependences of relaxation time, viscosity, and diffusion coefficient. The temperature dependences of viscosity and relaxation time were related using the Debye-Stokes-Einstein equation, enabling viscosity at low temperatures of two model asphalt systems to be estimated from high temperature ͑443.15 K͒ viscosity and temperature-dependent relaxation time results. Semiquantitative accuracy of such an equivalent temperature dependence was found for naphthalene. Diffusion coefficient showed a much smaller temperature dependence for all components in the model asphalt systems. Dimethylnaphthalene diffused the fastest while asphaltene molecules diffused the slowest. Neat naphthalene diffused faster than any component in model asphalts.

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Section: Relaxation Time Diffusion and Viscosity For Naphthalenesupporting

confidence: 86%

“…7. Experimental data [58][59][60][61] have two selfconsistent Arrhenius-like temperature dependences. Differences between simulation results from the Green-Kubo and Einstein methods are shown as error bars.…”

Section: Relaxation Time Diffusion and Viscosity For Naphthalenementioning

confidence: 99%

Relaxation time, diffusion, and viscosity analysis of model asphalt systems using molecular simulation

Zhang

Greenfield

2007

The Journal of Chemical Physics

185

131

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“…A ≈ 6/( a ρ), where a is grain size and ρ is the crystal density. Taking γ = 0.050 N/m, , a = 500 nm, and ρ = 1.2 g/cm 3 , we obtain Δ G ex = 0.5 J/g. )…”

Section: Resultsmentioning

confidence: 91%

Fast Crystal Growth in o-Terphenyl Glasses: A Possible Role for Fracture and Surface Mobility

Powell

Sun

et al. 2015

J. Phys. Chem. B

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Molecular liquids can develop a fast mode of crystal growth ("GC growth") near the glass transition temperature. This phenomenon remains imperfectly understood with several explanations proposed. We report that GC growth in o-terphenyl conserves the overall volume, despite a 5% higher density of the crystal, and produces fine crystal grains with the same unit cell as normally grown crystals. These results indicate that GC growth continuously creates voids and free surfaces, possibly by fracture. This aspect of the phenomenon has not been considered by previous treatments and is a difficulty for those models that hypothesize a 5% strain without voids. Given the existence of even faster crystal growth on the free surface of molecular glasses, we consider the possibility that GC growth is facilitated by fracture and surface mobility. This notion has support from the fact that GC growth and surface growth are both highly correlated with surface diffusivity and with fast crystal growth along preformed cracks in the glass.

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“…Gryzll and co-workers (Gryzll, 1991;Grzyll, Back, Ramos, and Samad, 1994;Grzyll, Back, Ramos, and Samad, 1995) conducted life tests on a series of organic fluids. In addition, they measured the density, viscosity, and surface tension of some of the potential working fluids (Grzyll, Ramos, and Back, 1996). Gryzyll (1991) conducted short term (~50 hour) corrosion tests with water and diphenyl and the following coupons: 316 SS, 6061-T6 Al, Monel 400, Nickel 200, and titanium.…”

Section: Organic Fluidsmentioning

confidence: 99%

Intermediate Temperature Fluids for Heat Pipes and Loop Heat Pipes

Anderson¹

2007

5th International Energy Conversion Engineering Conference and Exhibit (IECEC)

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There are a number of applications that could use heat pipes or loop heat pipes (LHPs) in the intermediate temperature range of 450 to 750 K, including space nuclear power system radiators, fuel cells, geothermal power, waste heat recovery systems, and high temperature electronics cooling. Potential working fluids include organic fluids, elements, and halides. The paper reviews previous life tests conducted with 30 different intermediate temperature working fluids, and over 60 different working fluid/envelope combinations. Life tests have been run with three elemental working fluids: sulfur, sulfur-iodine mixtures, and mercury. Other fluids offer benefits over these three liquids in this temperature range. Life tests have been conducted with 19 different organic working fluids. As the temperature is increased, all of the organics start to decompose. Typically they generate non-condensable gas, and often the viscosity increases. The maximum operating temperature is a function of how much NCG can be tolerated, and the heat pipe operating lifetime. The highest long term life tests were run at 623 K (350°C), with short term tests at temperatures up to 653 K (380°C). Three sets of organic fluids stand out as good intermediate temperature fluids: (1) Diphenyl, Diphenyl Oxide, and Eutectic Diphenyl/Diphenyl Oxide, (2) Naphthalene, and (3) Toluene. While fluorinating organic compounds is believed to make them more stable, this has not yet been demonstrated during heat pipe life tests. Ongoing life tests suggest that the halides may be suitable for temperatures up to 673 K (400°C). However, property data for the halides is incomplete.

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Density, Viscosity, and Surface Tension of Liquid Quinoline, Naphthalene, Biphenyl, Decafluorobiphenyl, and 1,2-Diphenylbenzene from 300 to 400 °C

Cited by 31 publications

References 8 publications

Relaxation time, diffusion, and viscosity analysis of model asphalt systems using molecular simulation

Relaxation time, diffusion, and viscosity analysis of model asphalt systems using molecular simulation

Fast Crystal Growth in o-Terphenyl Glasses: A Possible Role for Fracture and Surface Mobility

Intermediate Temperature Fluids for Heat Pipes and Loop Heat Pipes

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