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# Chemical Engineering Science (v.63, #8)

Modelling of hydrate formation kinetics: State-of-the-art and future directions by C.P. Cláudio P. Ribeiro Jr.; P.L.C. Paulo L.C. Lage (

*pp. 2007-2034*).

**Keywords:** Mathematical modelling; Nucleation; Particle formation; Phase change; Hydrate; Natural gas

Modeling of branching density and branching distribution in low-density polyethylene polymerization by D.-M. Dong-Min Kim; P.D. Piet D. Iedema (

*pp. 2035-2046*).

**Keywords:** Polymerization; Modeling; Branching; Branching distribution; Reaction engineering; Molecular architecture design

The density of water in carbon nanotubes by Alessio Alexiadis; Stavros Kassinos (

*pp. 2047-2056*).

**Keywords:** Carbon nanotubes; Confined water; Molecular dynamics

Modeling and kinetics of tandem polymerization of ethylene catalyzed by bis(2-dodecylsulfanyl-ethyl)amine-CrCl3 andEt(Ind)2ZrCl2 by Junwei Zhang; Hong Fan; B.-G. Bo-Geng Li; Shiping Zhu (

*pp. 2057-2065*).

**Keywords:** Ethylene–1-hexene copolymer; Ethylene trimerization; Tandem catalysis system; LLDPE; Modeling

Ultra-stability of gas hydrates at 1atm and 268.2K by Guochang Zhang; R.E. Rudy E. Rogers (

*pp. 2066-2074*).

**Keywords:** Energy; Nucleation; Particle formation; Surfactant; Hydrates; Gases

X-ray computed tomography of a gas-sparged stirred-tank reactor by J.J. Jason J. Ford; T.J. Theodore J. Heindel; T.C. Terrence C. Jensen; J.B. Joshua B. Drake (

*pp. 2075-2085*).

**Keywords:** Hydrodynamics; Multiphase flow; Stirred-tank reactor; Tomography; Visualization; Voidage

Sensitivity analysis of adsorption bed behavior: Examination of pulse inputs and layered-bed optimization by T.G. T. Grant Glover; M.D. M. Douglas LeVan (

*pp. 2086-2098*).

**Keywords:** Adsorption; Mass transfer; Optimization; Mathematical modeling; Sensitivities; Pulse; Layered bed

Unsteady motion of a single bubble in highly viscous liquid and empirical correlation of drag coefficient by Li Zhang; Chao Yang; Z.-S. Zai-Sha Mao (

*pp. 2099-2106*).

**Keywords:** Bubble; Drag coefficient; Multiphase flow; Added mass force; History force; Correlation

Gas–liquid flow and bubble size distribution in stirred tanks by G. Montante; D. Horn; A. Paglianti (

*pp. 2107-2118*).

**Keywords:** Gas–liquid stirred tank; Two-phase PIV; Bubble size distribution; CFD

Towards further internal heat integration in design of reactive distillation columns—Part III: Application to a MTBE reactive distillation column by Kejin Huang; San-Jang Wang; Wenming Ding (

*pp. 2119-2134*).

**Keywords:** Distillation; Internal heat integration; Process synthesis; Process design; Process dynamics; Process control

Computation of turbulence and dispersion of cork in the NETL riser by Veeraya Jiradilok; Dimitri Gidaspow; R.W. Ronald W. Breault; L.J. Lawrence J. Shadle; Chris Guenther; Shaoping Shi (

*pp. 2135-2148*).

**Keywords:** Gas-particle flow; Fluidization; Computational fluid dynamics; Reynolds stress

Modelling and simulation of hydrogen permeation through supported Pd-alloy membranes with a multicomponent approach by A. Alessio Caravella; G. Giuseppe Barbieri; E. Enrico Drioli (

*pp. 2149-2160*).

**Keywords:** Hydrogen permeation; Pd-based supported membranes

Response of slot coating flows to periodic disturbances by O.J. O.J. Romero; M.S. M.S. Carvalho (

*pp. 2161-2173*).

*premetered coating*: in a steady-state operation, the thickness of the coated liquid layer is set by the flow rate fed to the die and the speed of the substrate moving past, and is independent of other process variables. Thus premetered methods are ideal for high precision coating. However, even the best designed slot coating operations are subjected to small oscillations on the process conditions, such as flow rate, vacuum pressure and gap fluctuations. These oscillation may lead to unacceptable variation on the thickness of the deposited liquid layer. The effect of process condition disturbances on the coated layer has to be minimized to assure a wet thickness as uniform as possible.The effect of an imposed periodic perturbation on the liquid flow rate or on the gap clearance in the coated layer thickness is explored in this work by computer-aided analysis. The amplitude of the thickness variation is determined at different process conditions and die configurations by solving the transient, two-dimensional, viscous free surface liquid flow in the coating bead. The system of equations, with appropriate boundary conditions, was solved by the Galerkin/finite element method, and an implicit time integration. The results show the response as a function of the imposed perturbation frequency and of the die geometry. They indicate that the die geometry may be optimized in order to minimize the film thickness oscillation of a slot coating operation.

**Keywords:** Slot coating; Periodic disturbances; Galerkin/finite element method; Transient response; Free surface flow

Some curious observations of soap film contact lines by P.M. Peter M. Ireland (

*pp. 2174-2187*).

**Keywords:** Wetting; Foam; Dynamic contact angle; Contact angle hysteresis; Surface tension

CFD simulation of the high shear mixing process using kinetic theory of granular flow and frictional stress models by Anders Darelius; Anders Rasmuson; Berend van Wachem; Ingela Niklasson Björn; Staffan Folestad (

*pp. 2188-2197*).

**Keywords:** Fluid mechanics; Kinetic theory of granular flow; Frictional stress models; Powder technology; Granulation; Multiphase flow

A new discretization of space for the solution of multi-dimensional population balance equations by M.N. Mahendra N. Nandanwar; Sanjeev Kumar (

*pp. 2198-2210*).

*n*-dimensional population balance equations (PBEs) with preservation of (n+1) instead of2n properties required in direct extension of the 1-d fixed pivot technique of Kumar and Ramkrishna [1996a. On the solutions of population balance equation by discretization-I. A fixed pivot technique. Chemical Engineering Science 51, 1311–1332]. The radial grids for the solution of 2-d PBEs are obtained by intersecting arbitrarily spaced radial lines with arcs of arbitrarily increasing radii. The quadrilaterals obtained thus are divided into triangles to represent a non-pivot particle in 2-d space through three surrounding pivots by preserving three properties, the number and the two masses of the species that constitute the newly formed particle. Such a grid combines the ease of generating and handling a structured grid with the effectiveness of the framework of minimal internal consistency. A new quantitative measure to supplement visual comparison of two solutions is also introduced. The comparison of numerical and analytical solutions of 2-d PBEs for a number of uniform and selectively refined radial grids shows that the quality of solution obtained with radial grids is substantially better than that obtained with the direct extension of the 1-d fixed pivot technique to higher dimensions for both size independent and size dependent aggregation kernels. The framework of Chakraborty and Kumar combined with the proposed 2-d radial grid, which offers flexibility and achieves both reduced numerical dispersion and the ease of implementation, appears as an effective extension of the widely used 1-d fixed pivot technique to solve 2-d PBEs.

**Keywords:** Population balance modelling; Discretization methods; Multi-dimensional population balance equations; Modelling and simulation

Oxygen sorption and desorption properties of Sr–Co–Fe oxide by Qinghua Yin; Jay Kniep; Y.S. Lin (

*pp. 2211-2218*).

**Keywords:** Air separation; Mixed-conducting oxides; Defect chemistry; Adsorption

Wall-to-particle heat transfer in steam reformer tubes: CFD comparison of catalyst particles by A.G. Anthony G. Dixon; M. Ertan Taskin; Michiel Nijemeisland; E. Hugh Stitt (

*pp. 2219-2224*).

*solid cylinders*>

*one-hole particles*>

*multi-hole particles*. Little difference was seen between three-hole and four-hole particles. The particles with multiple holes gave a substantial reduction in tube wall temperature, with only a small decrease in core tube heat transfer. The effect of hole size was small, for the cases investigated in this study.

**Keywords:** Computational fluid dynamics; Catalyst design; Heat transfer; Packed bed; Chemical reactors; Reaction engineering

Thin film flow over spinning discs: The effect of surface topography and flow rate modulation by O.K. Matar; G.M. Sisoev; C.J. Lawrence (

*pp. 2225-2232*).

**Keywords:** Spinning disc; Fluid mechanics; Interfaces; Process intensification; Mass transfer; Topography; Waves; Hydrodynamics

A Laplace transformation based technique for reconstructing crystal size distributions regarding size independent growth by Shamsul Qamar; Gerald Warnecke; M.P. Martin Peter Elsner; A. Andreas Seidel-Morgenstern (

*pp. 2233-2240*).

**Keywords:** Population balance models; Crystallization processes; Laplace transformation; Model reduction; Mathematical modeling; Reconstruction technique

High-performance protein separation by ion exchange membrane partitioned free-flow isoelectric focusing system by Jiuhua Cheng; Yi Li; T.S. Tai Shung Chung; S.-B. Shing-Bor Chen; W.B. William B. Krantz (

*pp. 2241-2251*).

**Keywords:** Membrane; Separation; Electrophoresis; Polymers; Protein mixture; IEM-FFIEF (ion exchange membrane partitioned free-flow isoelectric focusing)

Nonlinear multiscale modelling for fault detection and identification by S.W. Sang Wook Choi; Julian Morris; I.-B. In-Beum Lee (

*pp. 2252-2266*).

**Keywords:** Multiresolution analysis; Kernel principal component analysis; Fault detection and diagnosis; Multivariate statistical process control; Multiscale kernel principal component analysis

CFD simulation of bubble columns incorporating population balance modeling by M.R. M.R. Bhole; J.B. J.B. Joshi; D. Ramkrishna (

*pp. 2267-2282*).

**Keywords:** Bubble column; CFD; Population balance model; Coalescence; Break-up

Shortstopping and jet mixers in preventing runaway reactions by D. Dakshinamoorthy; J.F. Louvar (

*pp. 2283-2293*).

**Keywords:** Mixing; Safety; Reaction engineering; CFD Simulation; Runaway; Shortstopping

Length scale dependence of effective inter-phase slip velocity and heterogeneity in gas–solid suspensions by Junwu Wang (

*pp. 2294-2298*).

**Keywords:** Hydrodynamics; Fluidization; Multiphase flows; Sub-grid scale model; Scale separation; Powder technology

Stochastic population balance modeling of influenza virus replication in vaccine production processes. II. Detailed description of the replication mechanism by Y. Sidorenko; A. Voigt; J. Schulze-Horsel; U. Reichl; A. Kienle (

*pp. 2299-2304*).

**Keywords:** Population balance; Mathematical modeling; Dynamic simulation; Bioreactors; Influenza virus; Vaccine production

*pp. 2305-2305*).