Chemical Process Development & Scale-up
Chemical Process Development & Scale-Up

Chemical Process Development & Scale-Up

Design Robust and Sustainable Chemical Processes For Faster Transfer To Pilot Plant and Production

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Applications

Chemical Process Development and Scale-up Applications

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. 

Mass Transfer and Reaction Rate
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.

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

Optimization and scale-up of crystallization and precipitation to produce a product that consistently meets purity, yield, form and particle size specifications can be one of the biggest challenges of process development.

Chemical Reaction Kinetics Studies
Study Chemical Reaction Rates and Measure Kinetics Inline

In situ chemical reaction kinetics studies provide an improved understanding of reaction mechanism and pathway by providing concentration dependences of reacting components in real-time. Continuous data over the course of a reaction allows for the calculation of rate laws with fewer experiments due to the comprehensive nature of the data.  Reaction Progression Kinetics Analysis (RPKA) uses in situ data under synthetically relevant concentrations and captures information throughout the whole experiment ensuring that the complete reaction behavior can be accurately described.

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 in 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.

Temperature Effects Crystallization Size and Shape
Scaling-Up Agitation, Dosing, and Crystallization

Changing the scale or mixing conditions in a crystallizer can directly impact the kinetics of the crystallization process and the final crystal size. Heat and mass transfer effects are important to consider for cooling and antisolvent systems respectively, where temperature or concentration gradients can produce inhomogeneity in the prevailing level of supersaturation.

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. 

Mass Transfer and Reaction Rate

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.

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

Optimization and scale-up of crystallization and precipitation to produce a product that consistently meets purity, yield, form and particle size specifications can be one of the biggest challenges of process development.

Chemical Reaction Kinetics Studies

In situ chemical reaction kinetics studies provide an improved understanding of reaction mechanism and pathway by providing concentration dependences of reacting components in real-time. Continuous data over the course of a reaction allows for the calculation of rate laws with fewer experiments due to the comprehensive nature of the data.  Reaction Progression Kinetics Analysis (RPKA) uses in situ data under synthetically relevant concentrations and captures information throughout the whole experiment ensuring that the complete reaction behavior can be accurately described.

Chemical Process Safety

Chemical process safety focuses on preventing incidents and accidents during manufacturing of chemicals and pharmaceuticals in 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.

Temperature Effects Crystallization Size and Shape

Changing the scale or mixing conditions in a crystallizer can directly impact the kinetics of the crystallization process and the final crystal size. Heat and mass transfer effects are important to consider for cooling and antisolvent systems respectively, where temperature or concentration gradients can produce inhomogeneity in the prevailing level of supersaturation.

Publications

Publications Related to Chemical Process Development and Scale-up

White Papers and Guides

Risks From Rising Temperature
In chemical process scale-up, understanding temperature change and the associated heat that is accumulated by the reaction are critical to process saf...
Effective Design of Experiment Studies
This paper describes the Design of Experiments (DoE) approach and how it is used to identify the relationship between parameters, defining optimal set...
Dosing in Chemical Development
Grünenthal Process R&D safely automates dosing and runs highly exothermic reactions unattended to increase productivity without additional staff.
Techniques to Synthesize Breakthrough Molecules
Advances in organic chemistry allow researchers to expand R&D of molecules and optimize process conditions. A new white paper presents 4 case studies...
Guide to Reaction Calorimetry
Reaction Calorimetry provides an understanding of a chemical process and is a source of safety and scale-up information. Reaction calorimeters determi...

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 Process Development and Scale-up

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