This work deals with experimental and numerical studies of a 3-D transient free-surface two-phase flow in a bench-scale channel flow. The aim was to determine how well the homogeneous model can predict the fluid dynamics behavior and to validate the model. The model was validated with experimental data acquired for two hydrodynamic situations. The mathematical model was based on the mass conservation equations for liquid and gas phases and on the momentum conservation equation for the mixture, assuming interpenetrating, continuum and homogeneous hypotheses. Turbulence has been considered for the mixture through the standard k-ε model. The numerical methods were the finite volume method with pressure-velocity coupling and a numerical grid on a generalized Cartesian coordinate system. Good qualitative and quantitative agreements were found for both cases, making the prediction of the fluid dynamics behavior quite robust.

The technique of experimental design is used on an ethylene polymerization process model in order to map the feasible optimal region as preliminary information for process optimization. Through the use of this statistical tool, together with a detailed deterministic model validated with industrial data, it is possible to identify the most relevant variables to be considered as degrees of freedom for the optimization and also to acquire significant process knowledge, which is valuable not only for future explicit optimization but also for current operational practice. The responses evaluated by the experimental design approach include the objective function and the constraints of the optimization, which also consider the polymer properties. A Plackett-Burman design with 16 trials is first carried out in order to identify the most important inlet variables. This reduces the number of decision variables, hence the complexity of the optimization model. In order to carry out a deeper investigation of the process, complete factorial designs are further implemented. They provide valuable process knowledge because interaction effects, including highly non-linear interactions between the variables, are treated methodically and are easily observed.

In this paper, a novel approach for establishing the route for process intensification through the application of two developed softwares to characterize reactive mixtures is presented. A robust algorithm was developed to build up reactive phase diagrams and to predict the existence and the location of reactive azeotropes. The proposed algorithm does not depend on initial estimates and is able to compute all reactive azeotropes present in the mixture. It also allows verifying if there are no azeotropes, which are the major troubles in this kind of programming. An additional software was developed in order to calculate reactive residue curve maps. Results obtained with the developed program were compared with the published in the literature for several mixtures, showing the efficiency and robustness of the developed softwares.