Numerical Spray Model of the Fluidized Bed Coating Process

In this study, a new model for the batch top-spray fluidized bed coating process is presented. The model is based on the one-dimensional (axial) discretization of the bed volume into different control volumes, in which the dynamic heat and mass balances for air, water vapor, droplets, core particles, and coating material were established. The coupling of the droplet phase's mass and heat transfer terms with the gas and solid phases was established by means of a droplet submodel in which droplet trajectories were individually simulated.

The model calculation method combines a Monte Carlo technique for the simulation of the particle exchange with the first-order Euler's method for solving the heat and mass balances, enabling the prediction of both the dynamic coating mass distribution and the one-dimensional (axial) thermodynamic behavior of the fluidized bed during batch operation. The simulation results were validated using experimental two-dimensional spatial air temperature and air humidity distributions, which were measured in a fluidized bed pilot reactor using a scanning probe.

Sensitivity analysis was carried out to study the effect of controllable process variables, such as fluidization air and atomization air properties, as well as the properties of the spraying liquid upon the simulated dynamic temperature and humidity distributions. Also, the effects of relevant process variables on growth rate uniformity and process yield were studied. Based on these sensitivity studies it was concluded that nozzle parameters, such as air pressure and positioning with respect to the bed, are as important as the fluidization air properties (humidity, temperature, and flow rate) for the coating growth rate uniformity and process yield.     

A systematic comparison of PCA‐based Statistical Process Monitoring methods for high‐dimensional,time‐dependent Processes

High‐dimensional and time‐dependent data pose significant challenges to Statistical Process Monitoring. Most of the high‐dimensional methodologies to cope with these challenges rely on some form of Principal Component Analysis (PCA) model, usually classified as nonadaptive and adaptive. Nonadaptive methods include the static PCA approach and Dynamic Principal Component Analysis (DPCA) for data with autocorrelation. Methods, such as DPCA with Decorrelated Residuals, extend DPCA to further reduce the effects of autocorrelation and cross‐correlation on the monitoring statistics. Recursive Principal Component Analysis and Moving Window Principal Component Analysis, developed for nonstationary data, are adaptive. These fundamental methods will be systematically compared on high‐dimensional, time‐dependent processes (including the Tennessee Eastman benchmark process) to provide practitioners with guidelines for appropriate monitoring strategies and a sense of how they can be expected to perform. The selection of parameter values for the different methods is also discussed. Finally, the relevant challenges of modeling time‐dependent data are discussed, and areas of possible further research are highlighted. © 2016 American Institute of Chemical Engineers AIChE J, 62: 1478–1493, 2016     

Asymmetric synthesis and conformational analysis by NMR spectroscopy and MD of Aba- and α-MeAba-containing dermorphin analogues

Dermorphin analogues, containing a (S)‐ and (R)‐4‐amino‐1,2,4,5‐tetrahydro‐2‐benzazepin‐3‐one scaffold (Aba) and the α‐methylated analogues as conformationally constrained phenylalanines, were prepared. Asymmetric phase‐transfer catalysis was unable to provide the (S)‐α‐Me‐o‐cyanophenylalanine precursor for (S)‐α‐MeAba in acceptable enantiomeric purity. However, by using a Schöllkopf chiral auxiliary, this intermediate was obtained in 88 % ee. [(S)‐Aba 3‐Gly 4]dermorphin retained μ‐opioid affinity but displayed an increased δ‐affinity. The corresponding R epimer was considerably less potent. In contrast, the [(R)‐α‐MeAba 3‐Gly 4]dermorphin isomer was more potent than its S epimer. Tar‐MD simulations of both non‐methylated [Aba 3‐Gly 4]dermorphin analogues showed a degree of folding at the C‐terminal residues toward the N terminus of the peptide, without however, adopting a stabilized β‐turn conformation. The α‐methylated analogues, on the other hand, exhibited a type I/I′ β‐turn conformation over the α‐MeAba 3 and Gly 4 residues, which was stabilized by a hydrogen bond involving Tyr 5‐H_N and D ‐Ala 2‐CO.     

Experimental and numerical investigation of a free rising droplet

A toluene droplet rising in a continuous aqueous phase is studied both experimentally and numerically. The experiments have been performed in a small scale, high-speed measuring unit with a high magnification device to image the process in all details. Numerical simulations are performed with the aid of the level set method implemented in the commercial CFD tool COMSOL Multiphysics 3.3a by COMSOL AB. A new technique for quantitative comparison of experimental and numerical results with respect to the droplet shape is presented. Both terminal velocity and droplet shape in experiments and simulations are found to be in excellent agreement. Based on the experimental and numerical data obtained, an improvement of an existing terminal velocity correlation is suggested. The adjusted correlation can be used for the design and optimisation of liquid-liquid extraction units.     

Concentration of thickening & gelling food additives by ultrafiltration: comparison of flat sheet and tubular membranes

Carrageenans and pectins are widely used for their rheological properties in many foods, as well as industrial applications. In their processing, Degussa Texturant Systems uses ultrafiltration as a concentration step. The aim of this study was to compare organic flat sheet and mineral tubular modules for carrageenan and pectin concentrations. Mineral tubular membranes led to higher flux performances than organic flat sheet membranes. The comparison of energy and membrane renewal costs did not make it possible to draw definitive conclusions on the choice between both modules. Nevertheless, subject to a life expectancy of more than ten years and to high operating times, mineral membranes should be more economic to operate.     

Influence of chain microstructure on the conformational behavior of ethylene-1-olefin copolymers. Impact of the comonomeric mole content and the catalytic inversion ratio

The rotational isomeric state model was employed to provide a better understanding of the role of chain microstructure on the conformational behavior of homogeneous ethylene-1-olefin copolymers. The chain microstructure was assembled in accordance with the copolymerization theory using a set of conditional probabilities in direct relation to the reactivity ratios and the feed compositions of the comonomers. The catalytic inversion influence on the tacticity of the polymeric microstructure was also taken into account by considering the replication probability during the Monte Carlo simulation. Statistical weight factors of the rotational isomeric states were evaluated using molecular dynamics runs of the various homopolymers according to the earlier work of Mattice et al. Probability distribution surfaces constructed by the integration of the molecular dynamics trajectories of sufficient length to sample all of the conformational space indicated the increase of the probability of g^±t joint states at the expense of g^±g^± pairs with the increase in the side chain length of the 1-olefin comonomers. It was also indicated that this behavior had a maximum around poly(1-butene)/poly(1-hexene) with an apparent reversal in case of poly(1-octene) due to the side chain crowding, which forces the chain to favor more of the g^±g^± joint states. The characteristic ratios calculated for the copolymers on the basis of the rotational isomeric state model also indicated the increased extension of the polymer backbone with the increase in the side chain length. The lower characteristic ratio calculated for the octene polymers may, in fact, explain the experimental observation that poly(1-octene) has a lower melting point than those of other poly(1-olefin)s of shorter side chains. A complete account of the role of tacticity on the characteristic ratio and the radial distribution function is also given.     

Distillation vs. membrane filtration: overview of process evolutions in seawater desalination

The worldwide need for fresh water requires more and more plants for the treatment of non-conventional water sources. During the last decades, seawater has become an important source of fresh water in many arid regions. The traditional desalination processes [reverse osmosis (RO), multi stage flash (MSF), multi effect distillation (MED), electrodialysis (ED)] have evoluated to reliable and established processes; current research focuses on process improvements in view of a lower cost and a more environmentally friendly operation. This paper provides an overview of recent process improvements in seawater desalination using RO, MSF, MED and ED. Important topics that are discussed include the use of alternative energy sources (wind energy, solar energy, nuclear energy) for RO or distillation processes, and the impact of the different desalination process on the environment; the implementation of hybrid processes in seawater desalination; pretreatment of desalination plants by pressure driven membrane processes (microfiltration, ultrafiltration and nanofiltration) compared to chemical pretreatment; new materials to prevent corrosion in distillation processes; and the prevention of fouling in reverse osmosis units. These improvements contribute to the cost effectiveness of the desalination process, and ensure a sustainable production of drinking water on long terms in regions with limited reserves of fresh water.