Empirical Equations to Calculate 16 of the Transport Collision Integrals Ω(<i>l, s</i>)* for the Lennard-Jones (12–6) Potential

Neufeld, Philip D.; Janzen, A.; Aziz, Ronald A.

doi:10.1063/1.1678363

Cited by 639 publications

(305 citation statements)

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“…We will further assume that a Lennard-Jones 12-6 potential applies, and use the Lennard-Jones collision diameter for σ. Neufeld et al (14) gave the following empirical correlation for the calculation of the collision integral Ω …”

Section: Pure Fluid Viscosity Modelmentioning

confidence: 99%

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Preliminary models for viscosity, thermal conductivity, and surface tension of pure fluid constituents of selected diesel surrogate fuels

Huber¹

2017

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We describe preliminary models for the viscosity, thermal conductivity, and surface tension for pure fluids that are constituents of four surrogate fuels for ultralow-sulfur diesel fuels developed under the auspices of the Coordinating Research Council (CRC). These fluids do not presently have published reference fluid quality models in the open literature, so we provide here preliminary models based on available data as an interim measure to allow calculations of these properties for both the pure fluids and the four surrogate mixtures. Comparisons with selected experimental pure-fluid data are given, and text files compatible with the NIST REFPROP computer program are included as supplementary material. We also present tabulations of the viscosity, thermal conductivity, and surface tension along the bubble point for four surrogate fuels.

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Section: Pure Fluid Viscosity Modelmentioning

confidence: 99%

“…For the gas phase, similar to 1,2,4-trimethylbenzene, we adopted 1.32x10 -3 for fint in Eq. (14). For the liquid phase, we used the Sastri-Rao method as implemented in the NIST TDE database software 14 …”

Section: ____________________________________________________________mentioning

confidence: 99%

Preliminary models for viscosity, thermal conductivity, and surface tension of pure fluid constituents of selected diesel surrogate fuels

Huber¹

2017

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“…The collision diameter is obtained from σ ij = 1/2 σ i + σ j and Ω ij is taken from [26]: (25) In which τ ij = kT/ε ij is the dimensionless temperature, where k is Boltzmann constant and ε ij = √ ε i ε j is the maximum attractive energy between one molecule of i and one molecule of k. The values of σ i and ε i for the substances used in this work are given in Table 2 [27]. The diffusion coefficients as a function of the temperature are shown in Figure 5.…”

Section: Calculation Of the Binary Diffusion Coefficients-reformer Bedmentioning

confidence: 99%

CFD Simulation of Ethanol Steam Reforming System for Hydrogen Production

Davidy¹

2018

ChemEngineering

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Hydrogen could be a promising source fuel, and is often considered as a clean energy carrier as it can be produced by ethanol. The use of ethanol presents several advantages, because it is a renewable feedstock, easy to transport, biodegradable, has low toxicity, contains high hydrogen content, and easy to store and handle. Reforming ethanol steam occurs at relatively lower temperatures, compared with other hydrocarbon fuels, and has been widely studied due to the high yield provided for the formation of hydrogen. A new computational fluid dynamics (CFD) simulation model of the ethanol steam reforming (ESR) has been developed in this work. The reforming system model is composed from an ethanol burner and a catalytic bed reactor. The liquid ethanol is burned inside the firebox, then the radiative heat flux from burner is transferred to the catalytic bed reactor for transforming the ethanol steam mixture to hydrogen and carbon dioxide. The proposed computational model is composed of two phases-Simulation of ethanol burner by using Fire Dynamics Simulator software (FDS) (version 5.0) and a multi-physics simulation of the steam reforming process occurring inside the reformer. COMSOL multi-physics software (version 4.3b) has been applied in this work. It solves simultaneously the fluid flow, heat transfer, diffusion with chemical reaction kinetics equations, and structural analysis. It is shown that the heat release rate produced by the ethanol burner, can provide the necessary heat flux required for maintaining the reforming process. It has been found out that the mass fractions of the hydrogen and carbon dioxide mass fraction are increased along the reformer axis. The hydrogen mass fraction increases with enhancing the radiation heat flux. It was shown that Von Mises stresses increases with heat fluxes. Safety issues concerning the structural integrity of the steel jacket are also addressed. This work clearly shows that by using ethanol which has low temperature conversion, the decrease in structural strength of the steel tube is low. The numerical results clearly indicate that under normal conditions of the ethanol reforming (The temperature of the steel is about 600 • C or 1112 • F), the rupture time of the HK-40 steel alloy increases considerably. For this case the rupture time is greater than 100,000 h (more than 11.4 years).

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“…The reduced collision integral can be calculated [65] as a function of the reduced temperature, T * = T (k B /ε), for the range 0. Includes vapor data employed to derive the dilute-gas thermal-conductivity correlation.…”

Section: Thermal-conductivity Correlation For Hexanementioning

confidence: 99%

Reference correlations for the viscosity and thermal conductivity of fluids over an extended range of conditions: hexane in the vapor, liquid, and supercritical regions (IUPAC Technical Report)

Perkins

Huber

Assael

et al. 2015

Pure and Applied Chemistry

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This article summarizes the correlation procedures developed for IUPAC Project 2012-040-1-100 [Reference correlations for the thermal conductivity and viscosity of fluids over extended range of conditions (vapor, liquid and supercritical regions)]. This project is focused on the development of wide-range reference correlations for the thermal conductivity and viscosity of fluids that incorporate as much theoretical knowledge of these properties as possible. The thermal conductivity and viscosity correlations developed here for pure fluids are functions of temperature and density. The best available equations of state for a given fluid are used to calculate the thermodynamic properties required for these correlations, often from measured temperatures and pressures. The correlation methodology developed during this project has been applied to hexane in this report but can be applied to any pure fluid with a reliable equation of state and reliable data for the thermal conductivity and viscosity over a significant range of temperatures and densities.

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Empirical Equations to Calculate 16 of the Transport Collision Integrals Ω(l, s)* for the Lennard-Jones (12–6) Potential

Cited by 639 publications

References 6 publications

Preliminary models for viscosity, thermal conductivity, and surface tension of pure fluid constituents of selected diesel surrogate fuels

Preliminary models for viscosity, thermal conductivity, and surface tension of pure fluid constituents of selected diesel surrogate fuels

CFD Simulation of Ethanol Steam Reforming System for Hydrogen Production

Reference correlations for the viscosity and thermal conductivity of fluids over an extended range of conditions: hexane in the vapor, liquid, and supercritical regions (IUPAC Technical Report)

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