Exact calculations of phase and membrane equilibria for complex fluids by Monte Carlo simulation
Objective is to develop molecular simulation techniques for phase equilibria in complex systems. The Gibbs ensemble Monte Carlo method was extended to obtain phase diagrams for highly asymmetric and ionic fluids. The modified Widom test particle technique was developed for chemical potentials of long polymeric molecules, and preliminary calculations of phase behavior of simple model homopolymers were performed.
- Research Organization:
- Cornell Univ., Ithaca, NY (United States). School of Chemical Engineering
- Sponsoring Organization:
- USDOE; USDOE, Washington, DC (United States)
- DOE Contract Number:
- FG02-89ER14014
- OSTI ID:
- 6770260
- Report Number(s):
- DOE/ER/14014-3; ON: DE93007959
- Country of Publication:
- United States
- Language:
- English
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