J. Albet et al., DEVELOPMENTS AND TRENDS IN BATCH-DISTILLA TION SIMULATION, Chemical engineering journal and the biochemical engineering journal, 54(2), 1994, pp. 95-106
This paper is devoted to the development of a general methodology for
application to the simulation of multicomponent batch distillation wit
h or without chemical reactions. After a survey of the field of batch
distillation and dynamic simulation applied to batch distillation, evo
lutions and trends are reviewed through the presentation of the propos
ed methodology. This methodology is based on the formulation and devel
opment of a rigorous model in comparison with those commonly used in b
atch distilation. The resulting set of differential-algebraic equation
s (DAE) is solved using an efficient numerical strategy based on Gear'
s method, which is especially adapted to deal with DAE systems and num
erical features arising in the batch context. Numerical difficulties d
ue to detection of time and state events, the occurrence of discontinu
ities and start-up policy schemes (involving chemical reactions or not
) are emphasized. Original and interesting solutions are proposed to t
ackle each of these problems. Finally, the flexibility, reliability an
d efficiency of the proposed methodology are illustrated through acade
mic and industrial case studies, the results of which are compared wit
h plant data.