By Guy B. Marin
Content material: disguise -- Advances in Chemical Engineering -- Contents -- individuals -- Preface -- A assessment of Multiscale research: Examples from platforms Biology, fabrics Engineering, and different Fluid-Surface Interacting platforms -- creation -- Deterministic, Continuum versions -- Hierarchy of types -- fixing Deterministic, Continuum Differential Equation versions: ideas and standing -- assessment of Discrete, Particle types -- Hierarchy of Stochastic types for Well-mixed, Chemically Reacting platforms -- fixing grasp Equations Stochastically: Monte Carlo equipment -- category of Multiscale Simulation ways -- Hybrid Multiscale Simulation -- Onion-type Hybrid Multiscale Simulations and Algorithms -- software of Onion-type Hybrid Multiscale Simulation to progress of fabrics -- purposes of Onion-type Hybrid Multiscale Simulation to different components -- Multigrid-type Hybrid Multiscale Simulations -- An instance of Multigrid-type Hybrid Multiscale Simulation for progress below huge size Scale Gradients -- demanding situations in Hybrid Multiscale Simulations -- Coarse Graining of Stochastic versions -- Temporal Upscaling of KMC Simulation in Well-mixed platforms -- Spatial Upscaling of allotted (Lattice) KMC Simulation -- Spatiotemporal Acceleration of allotted (Lattice) KMC Simulation -- Multiscale, Stochastic Modeling of organic Networks -- Spatially Well-mixed structures -- Spatially dispensed structures -- structures initiatives -- Sensitivity and Identifiability Analyses -- Parameter Estimation from Experimental info and Finer Scale types -- version relief and keep watch over -- Bifurcation -- Outlook -- Acknowledgments -- Quantifying Physics and Chemistry at a number of Length-scales utilizing Magnetic Resonance thoughts -- advent -- rules of MR Measurements -- Spatially Unresolved and Spatially Resolved Experiments -- Nuclear Spin rest occasions -- shipping -- Temperature -- The K-space Raster -- speedy information Acquisition -- contemporary advancements in MR as a device in Chemical Engineering study -- ''Ultra-fast'' Imaging of pace Fields -- a number of photographs From a unmarried Excitation -- Imaging Rotating platforms -- ''Ultra-fast'' Diffusion dimension -- Gas-phase MR -- response Engineering: From Catalyst to Reactor -- MR Spectroscopy of Catalysts -- Micro-imaging and Molecular Diffusion reports of shaped Catalyst Pellets -- Single-Phase circulate in Fixed-Bed Reactors -- Measuring Chemical Composition and Mass move in Fixed-Bed Reactors: In Situ stories of Reactions -- Two-Phase circulation in Fixed-Bed Reactors -- Hydrodynamic Transitions in Fixed-Bed Reactors -- destiny customers -- Acknowledgments -- Modeling of shipping and Transformation procedures in Porous and Multiphase our bodies -- advent -- technique -- illustration of Multiphase Media -- constitution Acquisition -- Morphological Characterization -- electronic Reconstruction of Multiphase Media -- Calculation of powerful homes -- Effective-scale delivery types -- ameliorations -- Skeletonization -- section Transitions
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Additional info for Advances in Chemical Engineering: Multiscale Analysis
As discussed in Goldman et al. (2002), off lattice simulations are very slow even when there is no significant separation of time scales to enable a molecular-level simulation of cell receptor dynamics. Very interesting lattice KMC simulations of diffusion and dimerization events leading to spatial self-organization of the G-protein-coupled receptor family have been carried out by Woolf and Linderman (2003, 2004). Other spatially distributed biological systems modeling using KMC simulation include that of Saxton (1995, 2001) and Shea et al.
As another example of hybrid multiscale simulation, recent work combined the Poisson-based t-leap method of Gillespie with the next reaction method of Gibson and Bruck (2000) for reactions invoking large and small populations (Puchalka and Kierzek, 2004). This two-level method, termed the maximal time step method, is an interesting hybrid multiscale simulation where large disparity in populations can be handled efﬁciently while the noise is nearly exact. Furthermore, partitioning of reaction sets between the two algorithms is easy to automate.
Hydrogen and the organometallic precursor are introduced from opposite sides of a countercurrent geometry to react, leaving behind Pd, as depicted in Fig. 9a. Experimentally, a challenge is to conﬁne the chemistry within the substrate in such a way that a thin but continuum Pd ﬁlm forms, which can be used for hydrogen separation. In this system, gradients in concentrations of species develop over the entire domain owing to diffusion and chemical reactions. On the other hand, nucleation occurs at random locations and times but is limited to the nanometer scale.
Advances in Chemical Engineering: Multiscale Analysis by Guy B. Marin