Catalytic isomerisation of α-pinene oxide to campholenic aldehyde using silica-supported zinc triflate catalysts

Vićević, Marija; Boodhoo, Kamelia; Scott, Keith

doi:10.1016/j.cej.2006.12.003

Cited by 38 publications

(23 citation statements)

References 18 publications

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“…Spinning disk reactors were tested, where the contact time was inversely proportional to the angular velocity, for the selective isomerization of -pinene [134]. This technology was considered able of a 8 ton/year productivity of epoxynitrile [135].…”

Section: Reactor Designmentioning

confidence: 99%

Chemical reaction engineering, process design and scale-up issues at the frontier of synthesis: Flow chemistry

Rossetti

Compagnoni

2016

Chemical Engineering Journal

184

103

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Flow chemistry has been proposed in modern organic chemistry as a mean for process intensification, to improve the control over reaction performance and to achieve higher yield. However, many open issues can be evidenced regarding the true possibility of scale-up, as well as currently lacking information for process design and economical evaluation. This review proposes some recent examples of flow synthesis deepening in particular the scale-up and engineering issues. Required information is evidenced, as well as some transport and kinetic data required for the practical implementation of the results.

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Section: Reactor Designmentioning

confidence: 99%

Chemical reaction engineering, process design and scale-up issues at the frontier of synthesis: Flow chemistry

Rossetti

Compagnoni

2016

Chemical Engineering Journal

184

103

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“…Microfluidics also encompasses dynamic fluidic thin films generated centrifugally by passing liquids over rotating surfaces, as in spinning disc processors (SDPs)3456789101112131415161718 and horizontally aligned rotating tube processors (RTPs) with open ends18192021222324. These processors are effective in controlling chemical reactions34567891011121322, probing the structure of self organised systems14, and exfoliation and scrolling of graphite and hexagonal boron nitride ( h -BN)318192021222324. However, the volumes of liquid required for maintaining constant shear intensity in the fluids flowing over the rotating surfaces, coupled with finite residence times and high cost of construction, can limit the scope of their applications.…”

mentioning

confidence: 99%

Optimising a vortex fluidic device for controlling chemical reactivity and selectivity

Yasmin

Chen

Stubbs

et al. 2013

Sci Rep

181

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A vortex fluidic device (VFD) involving a rapidly rotating tube open at one end forms dynamic thin films at high rotational speed for finite sub-millilitre volumes of liquid, with shear within the films depending on the speed and orientation of the tube. Continuous flow operation of the VFD where jet feeds of solutions are directed to the closed end of the tube provide additional tuneable shear from the viscous drag as the liquid whirls along the tube. The versatility of this simple, low cost microfluidic device, which can operate under confined mode or continuous flow is demonstrated in accelerating organic reactions, for model Diels-Alder dimerization of cyclopentadienes, and sequential aldol and Michael addition reactions, in accessing unusual 2,4,6-triarylpyridines. Residence times are controllable for continuous flow processing with the viscous drag dominating the shear for flow rates >0.1 mL/min in a 10 mm diameter tube rotating at >2000 rpm.

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“…For example, estimates of A and E for an isomerization reaction over a Zn-triflate/K60 catalyst are available in the literature. 10 The estimated parameter values are A 5 3.40 3 10 23 and E 5 9.84 3 10 3 J/ mol, and the temperature range over which the data was gathered is 298 to 358 K. Under these conditions, the ratio in Eq. 2 is between 1.37 3 10 26 (at 298 K) and 1.14 3 10 26 (at 358 K).…”

Section: àE=rtmentioning

confidence: 99%

Reparameterization of inestimable systems with applications to chemical and biochemical reactor systems

Ben-Zvi

2008

AIChE Journal

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in Wiley InterScience (www.interscience.wiley.com).Mathematical models of physical systems often have parameters that must be estimated from measured data. Inestimable models have more parameters than can be estimated from available data. In this work, a method for identifying inestimable parameters or parameter combinations is proposed. The method is based on partitioning the parameter space into estimable and inestimable subspaces. Parameter combinations in the inestimable subspace have little effect on measured values and can therefore be fixed at a nominal value. The number of effective parameters is thereby reduced to the dimension of the estimable subspace. The proposed method is applicable over a range of experimental conditions. Detailed examples, including a batch bioreactor and a three-phase reactor system, are included for illustration. Keywords: process control, control, parameter estimation IntroductionMathematical models of physical systems are used in almost every branch of science and engineering. Such models are, generally, functions of unknown parameters that must be estimated from available data. Often, models contain more parameters than can be estimated from a given data set. In this case the model parameters are said to be inestimable. Inestimability implies that there are several possible parameter values that yield statistically indistinguishable predictions.Estimability in models is a very useful property. If a model is estimable (from a given data set) then the value of each parameter in the model can be accurately determined. As a result, the model, or parameters, can be used for design, analysis, and scale-up. Furthermore, accurate parameter estimates allow system behavior to be extrapolated beyond the region where data is collected. This is especially useful for systems whose behavior cannot be studied under all conditions. For example, accurate parameter estimation may allow a clinician to choose an appropriate drug dosage for a human patient.The problem of inestimability has been well documented in the literature. [1][2][3][4] For every model that is inestimable there exists a simpler, estimable, model (i.e., one with fewer parameters) that provides near identical predictions over the region for which data is available. Usually, a sensitivitybased approach 1,3,4 is used to identify model parameters that have little or no effect on model predictions and can therefore be either lumped, discarded, or held at a fixed value for the purpose of estimation.The sensitivity-based framework for model simplification holds that a simpler identifiable model can be obtained by effectively removing some of the model parameters. However, the sensitivities of the model predictions to parameter values are functions of estimated parameter values and the experimental conditions. As a result, sensitivity analysis can suggest reparameterizations that only hold locally (i.e., near a nominal parameter value).In this work, a method is proposed for reparameterizing inestimable models. The proposed approach al...

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Catalytic isomerisation of α-pinene oxide to campholenic aldehyde using silica-supported zinc triflate catalysts

Cited by 38 publications

References 18 publications

Chemical reaction engineering, process design and scale-up issues at the frontier of synthesis: Flow chemistry

Chemical reaction engineering, process design and scale-up issues at the frontier of synthesis: Flow chemistry

Optimising a vortex fluidic device for controlling chemical reactivity and selectivity

Reparameterization of inestimable systems with applications to chemical and biochemical reactor systems

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