List of Figures
1.1 Schematic of the phase diagram and microstructures of diblock copoly-
mers..................................... 16
1.2 Schematic of the microstructure of a polymeric fluid adsorbed at a
surface................................... 18
1.3 Schematic of the associating molecules as modeled in TPTl...... 23
1.4 Schematic of the constraints imposed on the associating atomic molecules
in TPTl................................... 25
2.1 Schematic of the associating molecules as modeled in TPTl...... 35
2.2 Schematic of chain formation from associating spherical molecules. . . 39
2.3 Schematic illustration of the differences between the SAFT and SAFT-
D approaches................................ 44
2.4 Coexistence densities of zz-alkanes from SAFT-D and PC-SAFT. ... 50
2.5 Critical temperatures and pressures of n-alkanes from SAFT-D and
PC-SAFT.................................. 51
2.6 Pure component parameters for n-alkanes................ 52
2.7 Saturated liquid densities of long chain alkanes from SAFT-D and PC-
SAFT.................................... 53
2.8 VLE of eicosane∕propane and hexadecane∕hexane mixtures from SAFT-
D and PC-SAFT............................. 54
2.9 VLE of tetracosane∕propane and hexatriacontane∕hexane mixtures from
SAFT-D and PC-SAFT ......................... 55
2.10 Vapor phase compositions of long and short chain alkanes' mixtures
from SAFT-D and PC-SAFT......... 56
2.11 Phase equilibria of monodisperse HDPE in pentane and hexane sol-
vents from SAFT-D and PC-SAFT................ 58
2.12 Phase equilibria of polydisperse HDPE in pentane and hexane solvents
from SAFT-D and PC-SAFT....................... 60
3.1 Schematic of the associating hard spheres................ 68
3.2 Schematic of the chain formed from m associating spheres....... 74
3.3 Density profiles of single 50-mer ideal and hard chains tethered to a
hard surface from simulation and iSAFT................. 78
viii
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