Theoretical treatment of the bulk and surface properties of fluids containing long, flexible molecules

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Purpose is to develop an equation of state for predicting the thermodynamic properties of fluids containing chain-like molecules ranging from alkanes to polymers. Foundation of this work is the Generalized Flory Dimer (GFD) theory. GFD is extended to square-well chain mixtures. The second virial coefficient has been evaluated for hard-chain and square-well chain fluids using a Monte Carlo approach. The polymer RISM theory was used to determine the segment-segment radial distributrion function for hard chain fluids. Monte Carlo simulations are being performed of the self-diffusion coeffient, shear and longitudinal viscosities, and thermal conductivity for hard chain fluids. (DLC)

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Pages: (5 p)

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Creator: Unknown. January 1, 1993.

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Description

Purpose is to develop an equation of state for predicting the thermodynamic properties of fluids containing chain-like molecules ranging from alkanes to polymers. Foundation of this work is the Generalized Flory Dimer (GFD) theory. GFD is extended to square-well chain mixtures. The second virial coefficient has been evaluated for hard-chain and square-well chain fluids using a Monte Carlo approach. The polymer RISM theory was used to determine the segment-segment radial distributrion function for hard chain fluids. Monte Carlo simulations are being performed of the self-diffusion coeffient, shear and longitudinal viscosities, and thermal conductivity for hard chain fluids. (DLC)

Physical Description

Pages: (5 p)

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OSTI; NTIS; GPO Dep.

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  • Other: DE93015560
  • Report No.: DOE/ER/14181-1
  • Grant Number: FG05-91ER14181
  • DOI: 10.2172/6380831 | External Link
  • Office of Scientific & Technical Information Report Number: 6380831
  • Archival Resource Key: ark:/67531/metadc1211361

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Creation Date

  • January 1, 1993

Added to The UNT Digital Library

  • July 5, 2018, 11:11 p.m.

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  • Aug. 7, 2018, 7:59 p.m.

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Theoretical treatment of the bulk and surface properties of fluids containing long, flexible molecules, report, January 1, 1993; United States. (digital.library.unt.edu/ark:/67531/metadc1211361/: accessed January 22, 2019), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.