Effect of Clay Modification on the Mechanism of Local Deformations in PA6 Nanocomposites

PA nanocomposites are prepared from clays organophilized with a phosphonium and an ammonium salt, and sodium montmorillonite is used as reference. The analysis of mechanical and micromechanical properties of the composites reveal that several micromechanical deformation processes occur in the PA/MMT composites. The matrix cavitates at relatively small stress. Processes related to non‐exfoliated clay structural units are initiated at larger stresses. Sound is emitted mainly by the fracture of particles, but debonding may also occur. The plastic deformation of the matrix dominates at larger stresses and deformations. The various local deformations are independent of each other and composite properties are not determined by silicate related processes but by the deformation of the matrix.

     

High polymer/surfactant ratio in the seeded semicontinuous heterogeneous polymerization of vinyl acetate

Vinyl acetate (VAc) was polymerized by a seeded semicontinuous heterogeneous process. Stable latexes with a polymer/surfactant weight ratio of 65 were obtained, which is comparable with the highest value reported in the literature for emulsion polymerization but with the advantage of obtaining smaller particles (average diameter, D_p = 53 nm) which are similar to those obtained by microemulsion polymerization. The surfactant (sodium dodecylsulfate, SDS) concentration used in the recipe (0.32 wt%) is much lower than those typically used in microemulsion polymerization. Although molar masses increased during the continuous monomer addition period, they were small at the end of the reaction (M_n = 69 × 10³ g·mol^–1) and this was attributed to bimolecular termination inside the particles. The values of polymerization rate (R_p) and monomer addition rate (F_m) were nearly the same, indicating that polymerization was performed under monomer starved conditions. POLYM. ENG. SCI., 2013. © 2013 Society of Plastics Engineers     

Automatic generation of procedures for the simulation of multistage separators using computer algebra

We successfully extended a computer algebra program (Thermath), orginally developed for the automatic computer implementation of physical property calculations, in order to perform the global phase stability test and to generate code for the steady state simulation of multistage separators. Analytical derivatives of the modeling equations and of the thermodynamic properties were rapidly obtained and automatically implemented in Fortran 77 using Thermath. Even though the final assembly of the code was doen manually, the largest portion of the program corresponds to automatically generated code. A program for the simulation of extraction columns was developed and showed excellent agreement with results available in the literature. The global phase stability program was tested in the identification of liquid-liquid phase transitions, showing results coherent with those from the extraction column program. Quadratic convergence rates in the Newton-Raphson method were obtained with both programs, as should be expected when the functions and their derivatives are correctly implemented.     

Multiobjective optimization of biorefineries with economic and safety objectives

A new approach for the incorporation of safety criteria into the selection, location, and sizing of a biorefinery is introduced. In addition to the techno‐economic factors, risk metrics are used in the decision‐making process by considering the cumulative risk associated with key stages of the life cycle of a biorefinery that includes biomass storage and transportation, process conversion into biofuels or bioproducts, and product storage. The fixed cost of the process along with the operating costs for transportation and processing as well as the value of the product are included. An optimization formulation is developed based on a superstructure that embeds potential supply chains of interest. The optimization program establishes the tradeoffs between cost and safety issues in the form of Pareto curves. A case study on bio‐hydrogen production is solved to illustrate the merits of the proposed approach. © 2013 American Institute of Chemical Engineers AIChE J, 59: 2427–2434, 2013     

Optimal design and operation of a steel plant integrated with a polygeneration system

A process integration approach has been applied to integrate a traditional steelmaking plant with a polygeneration system to increase energy efficiency and suppress carbon dioxide emissions from the system. Using short‐cut models and empirical equations for different units and available technologies for gas separation, methane gasification, and methanol synthesis, a mixed integer nonlinear model is applied to find the optimal design of the polygeneration plant and operational conditions of the system. Due to the complexity of the blast furnace (BF) operation, a surrogate model technique is chosen based on an existing BF model. The results show that from an economic perspective, the pressure swing adsorption process with gas‐phase methanol unit is preferred. The results demonstrate that integration of conventional steelmaking with a polygeneration system could decrease the specific emissions by more than 20 percent. © 2013 American Institute of Chemical Engineers AIChE J, 59: 3659–3670, 2013