José Carlos B. Lopes

Importance of intraparticle convection in the performance of chromatographic processes

Abstract Large-pore materials are used in separation engineering as high-performance liquid chromatographic packings and adsorbents; however, they find also many applications in reaction engineering as catalyst supports and ceramic membrane reactors and in biotechnology as supports for mammalian cell cultures or biomass growth. In these large-pore materials, mass transport by intraparticle forced convection should be considered in process analysis. A brief historical survey of research work concerned with intraparticle forced convection is given, showing that the concept to be retained is that of effective diffusivity augmented by convection. The behaviour of the height equivalent to a theoretical plate as a function of bed superficial velocity is explained on the basis of the above concept. Analogies between slab and spherical particle geometries are discussed.

Operational and Design Study of RIM Machines

Abstract Particle Image Velocimetry (PIV) and Laser Doppler Anemometry (LDA) data is presented and used to characterize the dynamic behaviour of the flow field in a RIM machine, and the main flow patterns and mixing mechanisms are examined and established. A two-dimensional CFD model is used for the simulation of mass transfer and chemical reaction in the mixing chamber of a RIM machine. Some design and operational parameters are considered and its influence on the mixing behaviour of a RIM machine is analysed.

Gas–liquid flow in a 2D column: Comparison between experimental data and CFD modelling

Abstract Euler/Euler CFD simulations are validated against experimental data acquired in a 2D rectangular column with 2 mm gap thickness. Data was collected using image velocimetry and laser velocimetry techniques, from bubbly to slug flow regimes, including the two hydrodynamic situations of stagnant and flowing liquid. Experimental data profiling was carried out at different axial locations providing a suitable database for CFD modelling. Two-phase flow was simulated by the commercial CFD package CFX 4.2 taking into account the drag force term obtained experimentally and using the lift force based on the Bernoulli effect, as proposed by Ranade (Trans. Inst. Chem. Eng. 75 (1997) 14). Turbulence was modelled by an extra transport equation for bubble-induced turbulence, that allows for the inclusion of experimentally verified anisotropic effects, as proposed by Lopez de Bertodano, Lahey, and Jones (Int. J. Multiphase Flow 20 (1994) 805).

Hole–electron competition with fast and slow gratings in Bi 12 SiO 20 crystals

Two samples of nominally pure Bi(12)SiO(20) show distinct behavior in experiments of diffraction efficiency kinetics, and two-beam coupling. The results can be understood by the presence of fast and slow gratings due to electrons and holes.

A Novel Continuous Industrial Process for Producing Hydroxyapatite Nanoparticles

Fluidinova, a recent start‐up high technology engineering company, has developed and is now commercializing a novel continuous industrial reactor NETmix for the manufacture of high added value products, such as nanomaterials, microemulsions, and pharmaceutical products. Through this technology, Fluidinova, in cooperation with Instituto de Engenharia Biomédica, has developed and patented the industrial process for the synthesis of a new high quality product consisting of hydroxyapatite nanoparticles with extremely high purity and crystallinity to be used as biocompatible nanomaterial for biomedical and pharmaceutical applications, to improve the quality of the already existing hydroxyapatite based medical devices, such as bone grafts, coated implants, and drug delivery systems.

Spray-drying microencapsulation of synergistic antioxidant mushroom extracts and their use as functional food ingredients

In this work, hydroalcoholic extracts of two mushrooms species, Suillus luteus (L.: Fries) (Sl) and Coprinopsis atramentaria (Bull.) (Ca), were studied for their synergistic antioxidant effect and their viability as functional food ingredients tested by incorporation into a food matrix (cottage cheese). In a first step, the individual extracts and a combination of both, showing synergistic effects (Sl:Ca, 1:1), were microencapsulated by spray-drying using maltodextrin as the encapsulating material. The incorporation of free extracts resulted in products with a higher initial antioxidant activity (t0) but declining after 7 days (t7), which was associated with their degradation. However, the cottage cheese enriched with the microencapsulated extracts, that have revealed a lower activity at the initial time, showed an increase at t7. This improvement can be explained by an effective protection provided by the microspheres together with a sustained release. Analyses performed on the studied cottage cheese samples showed the maintenance of the nutritional properties and no colour modifications were noticed.

Validation of a 2D CFD Model for Hydrodynamics' Studies in CIJ Mixers

A 2D model of a confined impinging jets mixer having the same geometry of the mixing chamber of a Reaction Injection Moulding, RIM, machine is introduced for the flow field simulation in a Computational Fluid Dynamics, CFD, code. From the CFD simulations the flow field structures and dynamics are clearly established. In addition, the numerical parameters affecting the 2D model simulations are studied, setting for each parameter a validity range. The 2D model is validated and used in the study of some operational parameters: the Reynolds number, the Froude number and the momentum ratio between the opposed jets. The validation of the CFD simulations is also made by comparison with experimental results. The limitations of the 2D model, for simulating the actual 3D flow field, are assessed; from the 2D/3D comparison, it is clearly shown that the introduced model can predict the main flow field features.

Quantification of mixing in RIM using a non-diffusive two-phase flow numerical model

Mixing in RIM is made mainly by advective mechanisms, rather than diffusion. In this paper, the advective mechanisms that enable reducing the mixing scales down to the values required for the complete chemical reaction of the two monomers inside the RIM mixing chamber are identified and studied. From Computational Fluid Dynamics (CFD) simulations of non-diffusive two-phase flow using the Volume-of-Fluid (VOF) model, a linear scale of segregation is determined as a measure of the degree of mixing and the effect of the Reynolds number is studied.

The effect of intraparticle convection on conversion in heterogeneous isothermal fixed-bed reactors with large-pore catalysts for first-order reactions

Abstract Residence time distributions have been largely used in chemical engineering to make diagnosis of the ill-functioning of chemical reactors and to predict conversion in homogeneous isothermal reactors once the kinetic rate of reaction is known. The prediction is unambiguous for first-order reactions. In this paper, the impulse tracer response of isothermal heterogeneous fixed-bed reactors packed with large-pore catalysts, in which intraparticle convection occurs, is derived. From the impulse tracer response, the residence time distribution of the outer phase is calculated and used to predict the steady state conversion in the reactor for first-order reactions. The effect of intraparticle convection, measured by the intraparticle Peclet number λ for a given reaction-catalyst system, i.e. for a set of Damkholer, Thiele, Biot and Peclet numbers (Da, o, Bi m and Pe respectively) is to drive the conversion between the diffusion-controlled and the kinetic-controlled limits. The problem of scaling from batch to continuous packed beds is also addressed.

Supercritical CO2 assisted process for the production of high‐purity and sterile nano‐hydroxyapatite/chitosan hybrid scaffolds

Hybrid scaffolds composed of hydroxyapatite (HAp), in particular in its nanometric form (n-HAp), and chitosan (CS) are promising materials for non-load-bearing bone graft applications. The main constraints of their production concern the successful implementation of the final purification/neutralization and sterilization steps. Often, the used purification strategies can compromise scaffold structural features, and conventional sterilization techniques can result in materials thermal degradation and/or contamination with toxic residues. In this context, this work presents a process to produce n-HAp/CS scaffolds mimicking bone composition and structure, where an innovative single step based on supercritical CO2 extraction was used for both purification and sterilization. A removal of 80% of the residual acetic acid was obtained (T = 75°C, p = 8.0 MPa, 2 extraction cycles of 2 h) giving rise to scaffolds exhibiting adequate interconnected porous structure, fast swelling and storage modulus compatible with non-load-bearing applications. Moreover, the obtained scaffolds showed cytocompatibility and osteoconductivity without further need of disinfection/sterilization procedures. Among the main advantages, the proposed process comprises only three steps (n-HAp/CS dispersion preparation; freeze-drying; and supercritical CO2 extraction), and the supercritical CO2 extraction show clear advantages over currently used procedures based on neutralization steps.