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Courtemanche, David James van Swol, Frank 2014-12-17T20:39:28Z 2014-12-17T20:39:28Z 10000-01-01 1993 1993 A study of the location of the hard sphere crystal-fluid phase transition and equilibrium wetting states for systems in contact with various hard substrates was undertaken using Monte Carlo (MC) and molecular dynamics (MD) techniques. Through the use of MD the phase transition was found to occur at the crystal density $\rho\sb{c}\sigma\sp3$ = 1.036 and fluid density $\rho\sb{f}\sigma\sp3$ = 0.943. The equilibrium wetting state against a smooth hard wall was shown through MD to be that of complete wetting by crystal. It was demonstrated that wall structure can be used to induce a wetting state of complete wetting by fluid. A new MC technique was developed with which the surface free energy of various interfaces can be calculated. The surface free energies of the interfaces involving the smooth hard wall were in agreement with both the present MD simulations and existing theoretical work for the fluid-wall interface. The surface free energy technique was extended to include interfaces with structured walls, although those results are less conclusive. Made available in DSpace on 2014-12-17T20:39:28Z (GMT). No. of bitstreams: 1 9411599.pdf: 5881783 bytes, checksum: bf7024b96e0183b6f1d23b1b5507e194 (MD5) Previous issue date: 1993 Embargo set by: Seth Robbins for item 72313 Lift date: Forever Reason: Restricted to the U of I community idenfinitely during batch ingest of legacy ETDs Restricted to the U of I community idenfinitely during batch ingest of legacy ETDs U of I Only 162 p. Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 1993. http://hdl.handle.net/2142/72145 (UMI)AAI9411599 Engineering, Chemical Wetting Phenomena Near the Melting Curve text Chemical Engineering Chemical Engineering University of Illinois at Urbana-Champaign Dissertation Ph.D.