Stirred Vessels: Computational Modeling of Multiphase Flows and Mixing

Khopkar, Avinash R.; Ranade, Vivek V.

doi:10.1002/9780470882221.ch15

Cited by 5 publications

(4 citation statements)

References 54 publications

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“…Computational fluid dynamics and computational particle fluid dynamics simulators continue to grow in sophistication but still require experimental validation. 20,21 Computational chemistry continues to gain a foothold but is still not commonly identifying new routes or catalysts a priori. Computational chemistry continues to be interpretive and has not reduced the need for laboratory measurements.…”

Section: Basic Chemicalsmentioning

confidence: 99%

Vision 2050: Reaction Engineering Roadmap

Bollini,

Diwan,

Gautam

et al. 2023

ACS Eng. Au

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This perspective provides the collective opinions of a dozen chemical reaction engineers from academia and industry. In this sequel to the “Vision 2020: Reaction Engineering Roadmap,” published in 2001, we provide our opinions about the field of reaction engineering by addressing the current situation, identifying barriers to progress, and recommending research directions in the context of four industry sectors (basic chemicals, specialty chemicals, pharmaceuticals, and polymers) and five technology areas (reactor system selection, design and scale-up, chemical mechanism development and property estimation, catalysis, nonstandard reactor types, and electrochemical systems). Our collective input in this report includes numerous recommendations regarding research needs in the field of reaction engineering in the coming decades, including guidance for prioritizing efforts in workforce development, measurement science, and computational methods. We see important roles for reaction engineers in the plastics circularity challenge, decarbonization of processes, electrification of chemical reactors, conversion of batch processes to continuous processes, and development of intensified, dynamic reaction processes.

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Section: Basic Chemicalsmentioning

confidence: 99%

Vision 2050: Reaction Engineering Roadmap

Bollini,

Diwan,

Gautam

et al. 2023

ACS Eng. Au

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“…Computational models have also been extensively used for intensifying reactions in stirred tank reactors. , One example is cited here: Patwardhan et al simulated a large industrial oxidation reactor using CFD. The CFD model gave an adequately accurate prediction of the residence time distribution of the industrial-scale reactor.…”

Section: Tools and Examples Of Intensification Of Multiphase Reaction...mentioning

confidence: 99%

Intensifying Multiphase Reactions and Reactors: Strategies and Examples

Utikar

Ranade²

2017

ACS Sustainable Chem. Eng.

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Intensification is intrinsic to better chemical and process engineering and has always been used in practice. Multiphase reactions and reactors are ubiquitous in chemical and allied industries and are of great economic and ecological importance. There is a great scope for intensifying multiphase reactions and reactors for realizing productivity enhancements, which are crucial for sustainable manufacturing. These enhancements can be in terms of increased throughput; better yield, conversion, and selectivity; smaller environmental footprint; and intrinsically safer operations. The advances in intensified reactors especially micro-reactors and microfluidic devices have created significant awareness about intensification in recent decades. In this note, we discuss different strategies for intensifying multiphase reactions and reactors based on the published information. Variety of tools and examples are presented to showcase the potential of intensification. We have found the efforts towards intensification of multiphase reactions and reactors very rewarding academically as well as professionally. We hope that this note will further stimulate interest in this area and pave the way towards realizing next generation productivity for chemical and allied industries.

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“…Both water-in-oil and oil-in-water emulsions can be formed, and their balance can be affected by evaporation of volatile solvents. 29 Ultimately, particulate calcium carbonate (CaCO 3 ) products are generated, which can arise in at least six distinguishable crystalline or noncrystalline ("amorphous") forms. 30 The final particle products contain colloidal nanometer-sized CaCO 3 (2 to 7 nm) that is stabilized by a calcium sulfonate surfactant (Ca(R−SO 3 ) 2 .…”

Section: Introductionmentioning

confidence: 99%

“…The final products are lubricant oil additives for deposit control and protection against corrosion in combustion engines. − The overbasing process is a complex four-phase system involving interfacial reactions between suspended solid and dissolved calcium hydroxide (Ca(OH) 2 ) in a polar methanol/water phase, akylbenzene sulfonic acid(R−SO 3 H) solution in a nonpolar organic solvent, and carbon dioxide (CO 2 ) gas. − The properties of the products formed are strongly dependent on temperature, mixing dynamics, and the composition of the gas phase. Both water-in-oil and oil-in-water emulsions can be formed, and their balance can be affected by evaporation of volatile solvents . Ultimately, particulate calcium carbonate (CaCO 3 ) products are generated, which can arise in at least six distinguishable crystalline or noncrystalline (“amorphous”) forms .…”

Section: Introductionmentioning

confidence: 99%

X-ray Absorption Spectroscopy as a Process Analytical Technology: Reaction Studies for the Manufacture of Sulfonate-Stabilized Calcium Carbonate Particles

Kathyola,

Chang,

Willneff

et al. 2023

Ind. Eng. Chem. Res.

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Process analytical technologies are widely used to inform process control by identifying relationships between reagents and products. Here, we present a novel process analytical technology system for operando XAS on multiphase multicomponent synthesis processes based on the combination of a conventional lab-scale agitated reactor with a liquid-jet cell. The preparation of sulfonate-stabilized CaCO 3 particles from polyphasic Ca(OH) 2 dispersions was monitored in real time by Ca Kedge XAS to identify changes in Ca speciation in the bulk solution/dispersion as a function of time and process conditions. Linear combination fitting of the spectra quantitatively resolved composition changes from the initial conversion of Ca(OH) 2 to the Ca(R−SO 3 ) 2 surfactant to the ultimate formation of nCaCO 3 • mCa(R− SO 3 ) 2 particles. The system provides a novel tool with strong chemical specificity for probing multiphase synthesis processes at a molecular level, providing an avenue to establishing the relationships between critical quality attributes of a process and the quality and performance of the product.

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Stirred Vessels: Computational Modeling of Multiphase Flows and Mixing

Cited by 5 publications

References 54 publications

Vision 2050: Reaction Engineering Roadmap

Vision 2050: Reaction Engineering Roadmap

Intensifying Multiphase Reactions and Reactors: Strategies and Examples

X-ray Absorption Spectroscopy as a Process Analytical Technology: Reaction Studies for the Manufacture of Sulfonate-Stabilized Calcium Carbonate Particles

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