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Improved Rate Laws and Population Balance Simulation Methods; CRE Applications, Including the Combustion Synthesis of Valuable Nano-Particles
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Daniel E. Rosner
Veröffentlicht/Copyright:
17. April 2006
Using ‘flame-synthesized’ nanoparticles (nps) as one prototypical application, we illustrate our recent progress in two broad areas of current CRE-interest, viz., the development of: 1. Improved rate laws/transport coefficients for next-generation Eulerian, multi-(state) variable population-balance formulations, and 2. Quadrature-based multi-variate moment methods (hereafter QMOM) suitable for articulation with evolving Eulerian CFD simulation methods Admittedly, in previous work much insight was obtained by introducing deliberately (over-) simplified rate laws (for nucleation, Brownian coagulation, vapor growth/evaporation, sintering, thermophoresis,…) into the generally nonlinear integro-partial differential equation called the ‘population balance’ equation (PBE). However, despite the complexity of this equation, and the need to satisfy it along with many other local PDE-balance principles in multi-dimensional CRE environments, in our view current requirements for reactor design, as well as the frequent need to infer meaningful physico-chemical parameters based on laboratory measurements on populations rather than individual ‘particles’, make the introduction of more accurate rate/transport laws essential for next-generation particle synthesis reactor models. Our present examples are motivated both by measurements/calculations of the structure of laminar counterflow flames synthesizing Al2O3 nps and/or the predicted performance of well-mixed steady-flow devices in which sintering or sublimation occurs. Corresponding illustrative results, which focus on the rate laws for sphere dissolution or aggregate Brownian coagulation support our contentions that: i) systematic introduction of more accurate rate laws (including nucleation, sintering, growth, …)/transport coefficients will be essential to meet the quantitative demands of next-generation PBE-based CRE-simulation models for high-value particulate synthesis equipment, and, ii) QMOM is able to incorporate realistic rate laws and faithfully generate their effects on important ‘moments’ characterizing the product joint distribution functions.
Keywords: reaction engineering; coagulation kinetics; dissolution kinetics; population balances; method of moments; multi-variate populations
Published Online: 2006-4-17
©2011 Walter de Gruyter GmbH & Co. KG, Berlin/Boston
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Schlagwörter für diesen Artikel
reaction engineering;
coagulation kinetics;
dissolution kinetics;
population balances;
method of moments;
multi-variate populations
Artikel in diesem Heft
- Review
- Practical Implications of Bifurcation and Chaos in Chemical and Biological Reaction Engineering
- Article
- Optimization of Bacterial Oxidation Process Parameters for Selective Leaching of Nickel by Thiobacillus Ferrooxidans
- Direct Numerical Simulation of Mass Transfer from Spherical Bubbles: the Effect of Interface Contamination at Low Reynolds Numbers
- Plasma-Prepared Ni/Al2O3: Preparation, Characterization and Toluene Hydrogenation
- Flow Induced by Dual-Turbine of Different Diameters in a Gas-Liquid Agitation System: the Agitation and Turbulence Indices
- A Comprehensive Model for Catalytic Membrane Reactor
- A Structured Model for Interleukin-11 Production with Recombinant E.coli and Genetic Algorithm for Model Parameter Estimation
- Calorimetry for Inferential Conversion Monitoring in Emulsion Copolymerization Reactors
- Identification of the State of a Magneto-Fluidized Bed by Pressure Fluctuations
- Modeling a Silicon CVD Spouted Bed Pilot Plant Reactor
- Intercooled Double-Bed Reactor for LTWGS Reaction with Catalyst Poisoning by Chlorine: Inlet Temperatures for the Maximization of the Production
- Comprehensive Modeling of Gas Fluidized-Bed Reactors Allowing for Transients, Multiple Flow Regimes and Selective Removal of Species
- Isothermal PFR/PMR Networks
- Influence of Particles and Electrolyte on Gas Hold-Up and Mass Transfer in a Slurry Bubble Column
- Three Phase Catalytic Reactions: Role of Omega Aqueous Phase in Solid-Liquid Phase Transfer Catalyzed Etherification of 2'- Hydroxy Acetophenone
- Treatment of Cork Wastes in a Conical Spouted Bed Reactor
- Biosorption of Combined Industrial Effluents using Phanerochaete Chrysosporium
- Kinetics of Liquid - Phase Hydrogenation of Straight Chain C10 to C13 Di-Olefins Over Ni/Al2O3 Catalyst
- Kinetics of H2S Sorption on Manganese Oxide and Mn-Fe-Cu Mixed Oxide Prepared by the Complexation Technique
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- Improved Rate Laws and Population Balance Simulation Methods; CRE Applications, Including the Combustion Synthesis of Valuable Nano-Particles
- VPO Transient Oxidation Kinetics
- Cluster-Based Modeling of Fluidized Catalytic Oxidation of n-Butane to Maleic Anhydride
- New Wet Flue Gas Desulfurization Process Using Granular Limestone and Organic Acid Additives
- Axial and Radial Investigation of Hydrodynamics in a Bubble Column; Influence of Fluids Flow Rates and Sparger Type
- A Numerical Algorithm for the Analysis of the Bubble Dynamics in Two-Dimensional Fluidized Beds Simulated by Means of CFD Multiphase-Flow Codes
- Computational Fluid Dynamics (CFD) Modeling of Fine Particle Spouting
- Effect of Silica Support on V-Mg-O Catalysts during ODH of Propane: Experimental and Modeling using Genetic Algorithms
- Well Dispersed Co0 by Reduction of LaCoO3 Perovskite
- Improvement of the Performances of a Gas-Inducing System for Application in Wastewater Treatment
- Catalytic Cracking of Plastic Pyrolysis Waxes with Vacuum Gasoil: Effect of HZSM-5 Zeolite in the FCC Catalyst
- Esterification of Palmitic Acid with Iso-Propanol in a Catalytic Distillation Column: Modeling and Simulation Studies
- Synthesis of SiO2 Nanoparticles in RF Plasma Reactors: Effect of Feed Rate and Quench Gas Injection
- Pd Supported on Ce/Zr Mixed Oxides in the Reduction of NO with Propylene in Oxidizing Conditions
- Effects of Design and Operating Parameters on Hydrodynamics of Circulating Bubble Columns with Open Channel Gas Separators
- Kinetics and Modelling of Bulk and Solution Diallyl Terephthalate Polymerization
- Reactor Model for the Underground Coal Gasification (UCG) Channel
- Study and Improvement of the Regeneration of Metallic Oxides Used as Oxygen Carriers for a New Combustion Process
- Short Communication or Note
- Dehydrogenation of Ethane and Hydrogenation of Carbon Dioxide in a Catalytic Membrane Reactor Using Copper-Plated LaNi5 as a Membrane Material
- Short Communication or Note
- Stabilization of a CSTR in an Oscillatory State by Varying the Thermal Characteristics of the Reactor Vessel
