How the Solute Polydispersity Affects the Cloud-Point and Coexistence Pressures in Propylene and Ethylene Solutions of Alternating Poly(ethylene-<i>co</i>-propylene)

Han, Suh Joon; Gregg, Christopher J.; Radosz, Maciej

doi:10.1021/ie960504z

Cited by 23 publications

(17 citation statements)

References 15 publications

(13 reference statements)

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“…Except for the carefully prepared material standards, industrially produced polymers consist of a range of chain lengths and chain structures. That is, they exhibit distributions in both molecular weight and composition, and as a result they can themselves be considered “mixtures of species.” As demonstrated in Figures and , and in a number of publications in this area of research, this complexity can nonetheless be modeled. An additional layer of complexity arises in GPPE processes, which produces semicrystalline polyethylene.…”

Section: Introductionmentioning

confidence: 99%

Modeling Vapor Solubility in Semicrystalline Polyethylene

Moebus

Greenhalgh

2018

Macro Reaction Engineering

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The solubility of vapors within semicrystalline polyethylenes produced in the gas phase process is examined. Experimentally measured solubilities of ethylene, 1-butene, isobutane, isopentane, 1-hexene, and n-hexane as a function of temperature, pressure, and vapor composition are reported for a series of semicrystalline linear low density polyethylenes, and a model for predicting these results is presented in detail. This paper demonstrates that conventional thermodynamic methods, which accurately predict polymer phase behavior in fluid systems, fail to account for a critical concept associated with semicrystalline polymers; the elastic constraint. Through application of a simple thermodynamic model addressing this effect, vapor solubility in such systems can be accurately predicted using a limited number of adjustable parameters.

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Section: Introductionmentioning

confidence: 99%

Modeling Vapor Solubility in Semicrystalline Polyethylene

Moebus

Greenhalgh

2018

Macro Reaction Engineering

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“…It is known that solute polydispersity affects the cloud point and co-existence pressures in polymer solutions. 65 Further, polydispersity of the solute tends to influence the viscosity and other bulk properties of the system affecting the solubility and its temperature dependence.…”

Section: Resultsmentioning

confidence: 99%

Solute–solvent friction kernels and solution properties of methyl oxazoline–phenyl oxazoline (MeOx–PhOx) copolymers in binary ethanol–water mixtures

Das

Hong

2011

Phys. Chem. Chem. Phys.

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Solvent mixtures often alter the solubility of polymeric substances. Statistical copolymers made from 2-methyl-2-oxazoline (MeOx) and 2-phenyl-2-oxazoline (PhOx) are known for their varying solubilities in pure ethanol, pure water and in binary mixtures of ethanol-water. Constrained Molecular Dynamics (MD) simulations have been carried out with an aim to explain the varying solubilities of the statistical MeOx-PhOx copolymers. The solute-solvent dynamic friction kernels calculated through constrained MD simulations corroborate the solubility pattern in these copolymers. The solvation characteristics have been analyzed in terms of the solute-solvent radial distribution functions (RDFs). The ethanol-soluble MeOx-PhOx copolymers exhibit characteristic solute-composition dependence in the dynamic solute-solvent friction kernels, indicating the strength of the solute-solvent correlations. The aggressive solvation by the ethanol molecules in the binary solvent mixtures has been brought out by the O(solute)-H(ethanol) RDFs which exhibit a characteristic dependence on the ethanol content in the solvent composition. The corresponding O(solute)-H(water) RDFs are devoid of any such composition dependence. For all the MeOx-PhOx copolymers, the O-site solvation is strongly dominated by the water molecules and the N-sites are solvated equally by both ethanol and water molecules.

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“…The approach used by Han et al [119] was to measure the cloud point and the coexistence pressures in propylene and ethylene solutions of alternating PEP of well-controlled polydispersity directly, from monodisperse to broadly polydisperse. These experimental data were modeled using the SAFT equation.…”

Section: Polymeric Systems Modeling Using the Saft Equation And Its Mmentioning

confidence: 99%

“…Ethylene, ethane, propylene, 1-butene, and 1-hexene, methylcyclopentane [33], [117], [118], [119], [142] Poly(1,1-dihydroperfluorooctylacrylate) (poly(FOA)) CO2…”

Section: Polymeric Systems Modeling Using the Saft Equation And Its Mmentioning

confidence: 99%