|Title||Computation of heteroazeotropes. Part II: efficient calculation of changes in phase equilibrium structure|
|Publication Type||Journal Article|
|Year of Publication||2000|
|Authors||Tolsma, J. E., and P. I. Barton|
|Journal||Chemical Engineering Science|
|Pagination||3835 - 3853|
|Keywords||Bifurcation analysis, Continuation methods, Heteroazeotropy, Interval arithmetic|
This paper, the second in a two-part series, discusses how a new approach for the computation of the heteroazeotropes present in a multicomponent mixture can be extended to compute efficiently the changes in phase equilibrium structure with parameters such as pressure. One particular advantage of the approach is the capability to detect incipient azeotropes and heteroazeotrope (i.e., azeotropes and heteroazeotropes that do not appear under current conditions but may appear under different conditions). The algorithm for computing the azeotropes and heteroazeotropes is analyzed in the first paper in this series: Computation of Heteroazeotropes. Part I: Theory. This paper includes a brief discussion of the implementation of this approach and some numerical examples as well as examples illustrating the effectiveness in determining the bifurcation pressures at which azeotropes and heteroazeotropes appear and disappear or switch between each other.