Chemical Reaction Kinetics | Reaction Kinetic Studies

Chemical Reaction Kinetics Studies

Fundamental Understanding of Reactions Rates and Factors Affecting Them

Chemical Reaction Kinetics
Kinetics in C-H Activations
ReactIR with iC Kinetics software

Applications

Applications Related to Chemical Reaction Kinetics Studies

Chemical Synthesis
Producing Quality, Economically-Viable Molecules

Chemical synthesis occurs when two or more molecules are combined to form a product molecule that possesses specific properties. There are numerous examples of chemical synthesis that results in important products for the pharmaceutical, polymer, fine and bulk chemical industries. To achieve optimized yield, quality, safety and cost metrics, chemical synthesis requires a thorough understanding of the kinetics and thermodynamics of the underlying chemistry, as well as carefully controlled and monitored reaction conditions.

Crystallization and Precipitation
Optimize Crystal Size, Yield and Purity With Crystallization Equipment

By understanding crystallization processes and choosing the right process parameters, it is possible to repeatably produce crystals of the correct size, shape and purity while minimizing issues downstream.

Mixing and Mass Transfer
Mixing in a Chemical Reactor and the Effect on Reaction Kinetics and Scale-up

Mixing is the reduction or elimination of inhomogeneity of phases that are either miscible or immiscible. Process scale-up and optimization require that the impact of mixing on the reaction rate be quantified. Automated, controlled experiments can be run in parallel in a laboratory reactor system to establish a mass transfer correlation, and provide a means to quickly adjust the gas/ liquid interface area and reactor volume. This achieves the desired conditions required for the scale-up or scale-down of a process.

Heat Transfer and Process Scale-up
How Heat Transport in Agitated Vessels Affects Process Scale-up

Scaling up a chemical process from lab to manufacturing gives useful results only with accurate heat transfer coefficients. Measuring the jacket and reactor temperature (during the release of a well-defined amount of heat) allows researchers to accurately compute the thermal resistance, which is used to model the heat transfer and make critical predictions for reactors at larger scale. Reaction calorimetry is essential to determine parameters that impact the heat transfer and the heat transfer coefficients, to develop models to maximize the bandwidth of a manufacturing plant.

Chemical Process Safety
Avoid Losing Control over a Chemical Process

Chemical process safety focuses on preventing incidents and accidents during manufacturing of chemicals and pharmaceuticals on a large scale. It refers to unintentional release of potentially dangerous materials and energy to the environment during a chemical reaction or because of a runaway reaction.

Chemical Process Development & Scale-Up
Creating Safe, Efficient Processes from Lab to Plant

Chemical Process Development and Scale-Up guides the development of a commercially important molecule from synthesis in the lab to large scale manufacture of a quality product.

Flow Chemistry
Improve Safety, Reduce Cycle Time, Increase Quality and Yield

Continuous flow chemistry opens options with exothermic synthetic steps that are not possible in batch reactors, and new developments in flow reactor design provide alternatives for reactions that are mixing limited in batch reactors. This can often result in better product quality and higher yield.  When coupled with Process Analytical Technology (PAT), flow chemistry allows for rapid analysis, optimization, and scale-up of a chemical reaction.

Chemical Synthesis

Chemical synthesis occurs when two or more molecules are combined to form a product molecule that possesses specific properties. There are numerous examples of chemical synthesis that results in important products for the pharmaceutical, polymer, fine and bulk chemical industries. To achieve optimized yield, quality, safety and cost metrics, chemical synthesis requires a thorough understanding of the kinetics and thermodynamics of the underlying chemistry, as well as carefully controlled and monitored reaction conditions.

Crystallization and Precipitation

By understanding crystallization processes and choosing the right process parameters, it is possible to repeatably produce crystals of the correct size, shape and purity while minimizing issues downstream.

Mixing and Mass Transfer

Mixing is the reduction or elimination of inhomogeneity of phases that are either miscible or immiscible. Process scale-up and optimization require that the impact of mixing on the reaction rate be quantified. Automated, controlled experiments can be run in parallel in a laboratory reactor system to establish a mass transfer correlation, and provide a means to quickly adjust the gas/ liquid interface area and reactor volume. This achieves the desired conditions required for the scale-up or scale-down of a process.

Heat Transfer and Process Scale-up

Scaling up a chemical process from lab to manufacturing gives useful results only with accurate heat transfer coefficients. Measuring the jacket and reactor temperature (during the release of a well-defined amount of heat) allows researchers to accurately compute the thermal resistance, which is used to model the heat transfer and make critical predictions for reactors at larger scale. Reaction calorimetry is essential to determine parameters that impact the heat transfer and the heat transfer coefficients, to develop models to maximize the bandwidth of a manufacturing plant.

Chemical Process Safety

Chemical process safety focuses on preventing incidents and accidents during manufacturing of chemicals and pharmaceuticals on a large scale. It refers to unintentional release of potentially dangerous materials and energy to the environment during a chemical reaction or because of a runaway reaction.

Chemical Process Development & Scale-Up

Chemical Process Development and Scale-Up guides the development of a commercially important molecule from synthesis in the lab to large scale manufacture of a quality product.

Flow Chemistry

Continuous flow chemistry opens options with exothermic synthetic steps that are not possible in batch reactors, and new developments in flow reactor design provide alternatives for reactions that are mixing limited in batch reactors. This can often result in better product quality and higher yield.  When coupled with Process Analytical Technology (PAT), flow chemistry allows for rapid analysis, optimization, and scale-up of a chemical reaction.

Publications

Publications Related to Chemical Reaction Kinetics Studies

White Papers

Grignard Reaction Scale-up
Exothermic chemical reactions pose inherent risks – especially during scale-up. Published studies from top chemical and pharmaceutical companies show...
In Situ Monitoring of Chemical Reactions
'How to do more with less?' is a constant topic in chemical development laboratories as researchers need to quickly and cost-effectively deliver chemi...
Metal Catalyzed Transformations Using In Situ Spectroscopy
This white paper reviews recent advances in organic chemistry using chemical reaction monitoring.
Chemical Synthesis Beyond the Round Bottom Flask
Learn how to improve your organic synthesis!This white paper discusses new methodologies for organic synthesis including how to: Cool and heat without...
Real-Time Reaction Monitoring
Real time, in situ mid-FTIR reaction monitoring leads to a greater understanding of catalyst activity and robustness. Researchers at the University of...
Process FTIR For Safe Operation of Sodium Borohydride Reduction
John O'Reilly of Roche Ireland discusses sustainable Process Analytical Technology (PAT) system using Process FTIR for the safe operation of a sodium...

On-Demand Webinars

Reaction Progress Kinetic Analysis
Professor Donna Blackmond discusses how Reaction Progress Kinetic Analysis (RPKA) methodology simplifies kinetic studies of organic reactions.
Reaction Kinetics Progress Analysis Ryan Baxter
This webinar explores a graphical analysis approach to rationalize unusual kinetics in C-H activations. The Reaction Progress Kinetic Analysis (RPKA)...
Development of Continuous Processes
David Ford of Nalas investigated an Oxidative Nitration reaction with a fast and highly exothermic oxidation step using reaction calorimetry and Proce...
Polymerization Process Monitoring
This presentation discusses polymerization process monitoring and how the value of real-time in situ Fourier Transform Infrared (FTIR) spectroscopy co...
Accelerated Process Development
Process development focused on continuous processes can utilize many of the same tools used in traditional batch processes. Nalas Engineering develops...

Citations

ReactIR Citation List
Continuous measurements from infrared spectroscopy are widely used for obtaining reaction profiles, which are used to calculate reaction rates. This...

Related Products

Products for Chemical Reaction Kinetics Studies

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