Title
Equilibrium and rate-based approaches to liquid–liquid phase splitting calculations
Abstract
Several approaches are presented that can be used to compute liquid–liquid phase splitting. These approaches are based on homotopy continuation methods or on non-equilibrium thermodynamics. It is shown that they exhibit quite different computational demands with respect to computation times and a suggestion is made as to which algorithm to use. For chemical systems with only a few components, the computation times encountered on a normal PC in most cases are only a few milliseconds, in some cases even less—suggesting the general use of such algorithms to assure that phase splitting is always detected when present.
Year
DOI
Venue
2005
10.1016/j.compchemeng.2005.09.005
Computers & Chemical Engineering
Keywords
Field
DocType
Phase splitting,Liquid–liquid equilibrium,Non-equilibrium thermodynamics,Homotopy continuation
Mathematical optimization,Millisecond,Homotopy continuation,Mathematics,Computation,Non-equilibrium thermodynamics
Journal
Volume
Issue
ISSN
30
2
0098-1354
Citations 
PageRank 
References 
5
1.18
1
Authors
3
Name
Order
Citations
PageRank
Frank Steyer12016.52
Dietrich Flockerzi2163.39
Kai Sundmacher34912.51