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Surface effects in simple molecular systems


Chapyak, Edward Jay (1972) Surface effects in simple molecular systems. Dissertation (Ph.D.), California Institute of Technology. doi:10.7907/F4N2-0732.


This thesis examines two problems concerned with surface effects in simple molecular systems. The first is the problem associated with the interaction of a fluid with a solid boundary, and the second originates from the interaction of a liquid with its own vapor.

For a fluid in contact with a solid wall, two sets of integro-differential equations, involving the molecular distribution functions of the system, are derived. One of these is a particular form of the well-known Bogolyubov-Born-Green-Kirkwood-Yvon equations. For the second set, the derivation, in contrast with the formulation of the B.B.G.K.Y. hierarchy, is independent of the pair-potential assumption. The density of the fluid, expressed as a power series in the uniform fluid density, is obtained by solving these equations under the requirement that the wall be ideal.

The liquid-vapor interface is analyzed with the aid of equations that describe the density and pair-correlation function. These equations are simplified and then solved by employing the superposition and the low vapor density approximations. The solutions are substituted into formulas for the surface energy and surface tension, and numerical results are obtained for selected systems. Finally, the liquid-vapor system near the critical point is examined by means of the lowest order B.B.G.K.Y. equation.

Item Type:Thesis (Dissertation (Ph.D.))
Subject Keywords:Engineering
Degree Grantor:California Institute of Technology
Division:Engineering and Applied Science
Major Option:Engineering and Applied Science
Thesis Availability:Public (worldwide access)
Research Advisor(s):
  • Plesset, Milton S.
Thesis Committee:
  • Unknown, Unknown
Defense Date:12 May 1972
Funding AgencyGrant Number
National Defense Education ActUNSPECIFIED
Office of Naval ResearchUNSPECIFIED
Record Number:CaltechTHESIS:04042016-133123395
Persistent URL:
Default Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:9647
Deposited On:04 Apr 2016 21:48
Last Modified:09 Nov 2022 19:20

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