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| Title: | Global phase diagram for monomer/dimer mixtures |
| Authors: | Attwood, Brian Christopher |
| Advisors: | Carol K. Hall, Chair
Richard J. Spontak, Member
Robert E. Funderlic, Member
Robert E. White, Member |
| Issue Date: | 18-Oct-2001 |
| Degree: | MS |
| Discipline: | Chemical Engineering |
| Abstract: | The objective of this thesis is to calculate the global phase diagram predicted by the Generalized Flory Dimer equation of state for mixtures of square-well monomers and dimers. Towards that goal, we first extend the Generalized Flory Dimer (GFD) theory for hard sphere monomer/dimer mixtures to square-well monomer/dimer mixtures. Theoretical predictions for the compressibility factor as a function of volume fraction are compared to discontinuous molecular dynamic simulation results on monomer/dimer mixtures at well depth ratios 0.5 - 1.5 and dimer mole fractions 0.111 - 0.667 and on monomers/8-mer mixtures at well depth ratios 0.5 - 1.5. Agreement is found generally to be good and consistent with the agreement obtained when the GFD theory is applied to other square-well systems. Next we calculate the GFD predicted global phase diagram for square-well monomer/dimer mixtures using a brute force method. The locus of critical points in the direction implies that monomer/dimer systems have a greater tendency towards liquid-liquid immiscibility in our system than in monomer/monomer systems. |
| URI: | http://www.lib.ncsu.edu/resolver/1840.16/434 |
| Appears in Collections: | Theses
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