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.

Abstract In this work, we present a highly-accurate technique of model order reduction applied to staged processes. The proposed method reduces the dimension of the original system based on null values of moment-weighted sums of heat and mass balance residuals on real stages. To compute these sums of weighted residuals, a discrete form of Gauss-Lobatto quadrature was developed, allowing a high degree of accuracy in these calculations. The locations where the residuals are cancelled vary with time and operating conditions, characterizing a desirable adaptive nature of this technique. Balances related to upstream and downstream devices (such as condenser, reboiler, and feed tray of a distillation column) are considered as boundary conditions of the corresponding difference-differential equations system. The chosen number of moments is the dimension of the reduced model being much lower than the dimension of the complete model and does not depend on the size of the original model. Scaling of the discrete independent variable related with the stages was crucial for the computational implementation of the proposed method, avoiding accumulation of round-off errors present even in low-degree polynomial approximations in the original discrete variable. Dynamical simulations of distillation columns were carried out to check the performance of the proposed model order reduction technique. The obtained results show the superiority of the proposed procedure in comparison with the orthogonal collocation method.

AbstractPultrusion is one of several manufacturing processes for reinforced polymer composites. In this process fibers are continuously pulled through a resin bath and, after impregnation, the fiber-resin assembly is cured in a heated forming die. In order to obtain a polymeric composite with good properties (high and uniform degree of cure) and a process with a minimum of wasted energy, an optimization procedure is necessary to calculate the optimal temperature profile. The present work suggests a new strategy to minimize the energy rate taking into account the final quality of the product. For this purpose the particle swarm optimization (PSO) algorithm and the computer code DASSL were used to solve the differential algebraic equation that represents the mathematical model. The results of the optimization procedure were compared with results reported in the literature and showed that this strategy may be a good alternative to find the best operational point and to test other heat policies in order to improve the material quality and minimize the energy cost. In addition, the robustness and fast convergence of the algorithm encourage industrial implementation for the inference of the degree of cure and optimization.

A method for analysis of the electric potential profile in saline solutions was developed for systems with one or two infinite flat plates. A modified Poisson-Boltzmann equation, taking into account nonelectrostatic interactions between ions and surfaces, was used. To solve the stated problem in the steady-state approach the finite-difference method was used. For the formulated pseudo-transient problem, we solved the set of ordinary differential equations generated from the algebraic equations of the stationary case. A case study was also carried out in relation to temperature, solution concentration, surface charge and salt-type. The results were validated by the stationary problem solution, which had also been used to verify the ionic specificity for different salts. The pseudo-transient approach allowed a better understanding of the dynamic behavior of the ion-concentration profile and other properties due to the surface charge variation.

Pultrusion is a composite manufacturing process in which fibers are pulled continuously through a resin bath for resin impregnation before entering into a heated die, where an exothermic cure reaction occurs. The energy needed to provide the cure reaction depends on many aspects such as cure kinetics and pulling speed. Generally, the pultrusion forming is divided in heat zones that can be heated at different temperature levels. The temperature distribution on the die surface can greatly affect material quality and energy cost. In the present work, through a CFD (Computational Fluid Dynamics) algorithm, it was possible to verify that the energy requirements can be reduced by changing the heating configuration of the pultrusion die. For this, an alternative configuration with internal heaters inside the die body was simulated. The heating rate was considered as the objective function. For the optimization study, we used a stochastic algorithm, the so-called particle swarm optimization (PSO) algorithm. The results showed that the energy spent to cure the resin-fiber system can be reduced considerably.

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.