Abstract The use of carbon-based waste biomass in the production of plastics can partially meet the growing demand for plastics in the near future. An interest in the production of ethylene from bioethanol has been renewing, motivated mainly by environmental appeal and economics. The main objective of this work is the development of a mathematical model for simulation and optimization of the production of ethylene by the dehydration of ethanol, improving the performance of the process. The phenomenological model proposed is based on mass, momentum and energy balances for the process. The results obtained are satisfactory in comparison with theoretical results and experimental data found in the literature.

Abstract Surfactants are amphiphilic molecules that can spontaneously self-assemble in solution, forming structures known as micelles. Variations in temperature, pH, and electrolyte concentration imply changes in the interactions between surfactants and micelle stability conditions, including micelle size distribution and micelle shape. Here, molecular thermodynamics is used to describe and predict conditions of micelle formation in surfactant solutions by directly calculating the minimum Gibbs free energy of the system, corresponding to the most stable condition of the surfactant solution. In order to find it, the proposed methodology takes into account the micelle size distribution and two possible geometries (spherical and spherocylindrical). We propose a numerical optimization methodology where the minimum free energy can be reached faster and in a more reliable way. The proposed models predict the critical micelle concentration well when compared to experimental data, and also predict the effect of salt on micelle geometry transitions.

This work deals with a new numerical methodology to solve the Navier-Stokes equations based on a finite volume method applied to structured meshes with co-located grids. High-order schemes used to approximate advective, diffusive and non-linear terms, connected with multiblock partition techniques, are the main contributions of this paper. Combination of these two techniques resulted in a computer code that involves high accuracy due the high-order schemes and great flexibility to generate locally refined meshes based on the multiblock approach. This computer code has been able to obtain results with higher or equal accuracy in comparison with results obtained using classical procedures, with considerably less computational effort.

As reflected in the literature, solid-fluid flow characteristics in spouted beds can vary widely when particles are coated by a suspension. This work is aimed at describing the effect of interparticle forces on airflow distribution in conical spouted beds of inert particles coated by Eucalyptus black liquor. The simulator developed earlier is modified to incorporate this effect. Two corrective functions with adjustable parameters are introduced into the simulator gas-flow model to generate the minimum spouting conditions in beds wetted by this liquor. These functions are assumed to be dependent on characteristic suspension groups and bed height. Using the particle swarm optimization (PSO) technique, expressions for these functions are obtained. Simulated results are presented and discussed to validate this technique. Implications of these results on drying Eucalyptus black liquor in conical spouted beds are analyzed.