Chemical Process Safety

Chemical Process Safety

Determine the Safety of Chemical Processes Prior to Scale-up

Chemical Process Safety
Reaction Calorimetry Safety
Risks of Chemical Processes

Chemical Process Safety by Design
Predict Runaway Dynamics
Reaction Calorimetry in Practice
Reaction Calorimeters for Safety
Risks of Rising Temperature

Applications

Chemical Process Development & Scale-Up
Design Robust and Sustainable Chemical Processes For Faster Transfer To Pilot Plant and Production

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

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 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.

Process Control for Exothermic Reactions
Understand and Control Grignard Reaction Development and Scale-up With Process Analytical Technology

Exothermic chemical reactions pose inherent risks, especially during scale-up. Risks include safety hazards, such as excessive pressure, contents discharge, or explosion, as well as product yield and purity degradation associated with any sharp temperature rise.  For example, inadequate control of Grignard reactions introduces safety concerns associated with the accumulation of the organic halide which, if undetected, can result in a catastrophic event leading to a runaway reaction.

Hydrogenation Reactions
Understand and Optimize Effects of Process Parameters on Hydrogenation Reactions

Studying hydrogenation reactions requires informed decisions to optimize the process in the laboratory and ensure it is repeatable on scale up. Continuous, real-time reaction measurements are applied to gain deep, fundamental process understanding. This is applied to make faster decisions to reduce the number of experiments and the time to scale-up the process; to increase selectivity/yield from almost instantaneous feedback on the direction of the reaction; to reduce cycle time and improve yield by determining the ideal endpoint by stopping a reaction at a specific time point and avoiding the risk of a byproduct formation.

Highly Reactive Chemistry

Highly reactive chemistry is a terminology used to describe chemical reactions that are particularly challenging to handle and develop due to the potentially hazardous and/or energetic nature of the reactants, intermediates and products that are present during synthesis. These chemistries often involve highly exothermic reactions which require specialized equipment or extreme operating conditions (such as low temperature) to ensure adequate control. Ensuring safe operating conditions, minimizing human exposure, and gaining the maximum amount of information from each experiment are key factors in successfully designing and scaling-up highly reactive chemistries.

Particularly challenging is the fact that sampling the reactor contents during the reaction is often impractical or impossible under the desired operating conditions. In addition, as highly reactive materials are often unstable, the accuracy of any possible offline analysis is often limited.

Handling of reagents can be minimized through the use of synthesis workstations, a new generation of technology, that are designed to provide high quality synthetic conditions (such as control over temperature and pH), a degree of automation of methods, and importantly greatly reduce the amount of material that comes into contact with the operator.

The sampling challenge can be addressed through the use of in situ reaction monitoring technology such as ReactIR™. This technology allows scientists to design and develop better and safer processes through the delivery of information regarding the behavior of reaction species such as starting materials, intermediates and products, allowing them to gain a greater understanding of the reaction being studied.

Continuous 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.

Measuring Polymerization Reactions
Comprehensive Understanding of Kinetics to Develop Synthetic Polymer Chemistry

Measuring and understanding polymerization reactions, mechanisms, kinetics, reactivity ratios, and activation energies lead researchers to employ in situ infrared spectroscopy as a routine technique to gain comprehensive, information-rich data that is used to advance research in a shorter time frame.

Crystallization and Precipitation
Optimize Crystal Size, Yield and Purity

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.

Avoid Explosion Risks Hazards of Chemical Reactions
Risks of Explosions in Chemical Process and How to Avoid Hazards in the Plant

Scientists and engineers eliminate risks of explosions in a chemical plant with a comprehensive safety study. The safety study is applied to develop a process that eliminates uncontrolled heat or gas generation, flammable vapor release, or an over-pressurization of the reactor leading to rupture and loss of contents, which may be flammable. In order to avoid the risk of uncontrolled heat generation, reaction calorimetry determines the heat of reaction and the rate of heat release, so that a process can be designed that minimizes the risk of loss of control.

Prevent Runaway Chemical Reactions
Develop a Safe Chemical Process

Essential measurements and calculations are necessary to model runaway scenarios and establish the ideal reaction procedure. Measuring, calculating, and understanding the parameters are essential to assess and avoid risk in a chemical process. This allows scientists to make predictions about the temperature profiles, maximum operating temperature, and dosing.

Chemical Process Development & Scale-Up

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

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 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.

Process Control for Exothermic Reactions

Exothermic chemical reactions pose inherent risks, especially during scale-up. Risks include safety hazards, such as excessive pressure, contents discharge, or explosion, as well as product yield and purity degradation associated with any sharp temperature rise.  For example, inadequate control of Grignard reactions introduces safety concerns associated with the accumulation of the organic halide which, if undetected, can result in a catastrophic event leading to a runaway reaction.

Hydrogenation Reactions

Studying hydrogenation reactions requires informed decisions to optimize the process in the laboratory and ensure it is repeatable on scale up. Continuous, real-time reaction measurements are applied to gain deep, fundamental process understanding. This is applied to make faster decisions to reduce the number of experiments and the time to scale-up the process; to increase selectivity/yield from almost instantaneous feedback on the direction of the reaction; to reduce cycle time and improve yield by determining the ideal endpoint by stopping a reaction at a specific time point and avoiding the risk of a byproduct formation.

Highly Reactive Chemistry

Highly reactive chemistry is a terminology used to describe chemical reactions that are particularly challenging to handle and develop due to the potentially hazardous and/or energetic nature of the reactants, intermediates and products that are present during synthesis. These chemistries often involve highly exothermic reactions which require specialized equipment or extreme operating conditions (such as low temperature) to ensure adequate control. Ensuring safe operating conditions, minimizing human exposure, and gaining the maximum amount of information from each experiment are key factors in successfully designing and scaling-up highly reactive chemistries.

Particularly challenging is the fact that sampling the reactor contents during the reaction is often impractical or impossible under the desired operating conditions. In addition, as highly reactive materials are often unstable, the accuracy of any possible offline analysis is often limited.

Handling of reagents can be minimized through the use of synthesis workstations, a new generation of technology, that are designed to provide high quality synthetic conditions (such as control over temperature and pH), a degree of automation of methods, and importantly greatly reduce the amount of material that comes into contact with the operator.

The sampling challenge can be addressed through the use of in situ reaction monitoring technology such as ReactIR™. This technology allows scientists to design and develop better and safer processes through the delivery of information regarding the behavior of reaction species such as starting materials, intermediates and products, allowing them to gain a greater understanding of the reaction being studied.

Continuous 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.

Measuring Polymerization Reactions

Measuring and understanding polymerization reactions, mechanisms, kinetics, reactivity ratios, and activation energies lead researchers to employ in situ infrared spectroscopy as a routine technique to gain comprehensive, information-rich data that is used to advance research in a shorter time frame.

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.

Avoid Explosion Risks Hazards of Chemical Reactions

Scientists and engineers eliminate risks of explosions in a chemical plant with a comprehensive safety study. The safety study is applied to develop a process that eliminates uncontrolled heat or gas generation, flammable vapor release, or an over-pressurization of the reactor leading to rupture and loss of contents, which may be flammable. In order to avoid the risk of uncontrolled heat generation, reaction calorimetry determines the heat of reaction and the rate of heat release, so that a process can be designed that minimizes the risk of loss of control.

Prevent Runaway Chemical Reactions

Essential measurements and calculations are necessary to model runaway scenarios and establish the ideal reaction procedure. Measuring, calculating, and understanding the parameters are essential to assess and avoid risk in a chemical process. This allows scientists to make predictions about the temperature profiles, maximum operating temperature, and dosing.

Publications

Thermal Hazard Analysis Publications

Know-how

Sustain a Culture of Safety
The series of safety resources offers application-specific knowledge.
Insight for Every Reaction
Resources to help gain insight into every reaction
Deliver From Lab to Plant
Resources to help design processes for manufacturability early in the process
Guide to Chemical Process Safety
Guide to Process Safety discusses challenges to consider when designing a safe process including thermal hazard analysis in chemical production, runaw...
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...

On-Demand Webinars

Calorimetry in Chemical Development
As chemical reactions are scaled from lab to manufacturing, potential safety issues of non-scalable conditions need to be identified early in developm...
Avoiding Incidents at Scale-up
This webinar discusses how to perform safe scale-up of chemical processes and includes a close examination of thermal risks and hazards.

Related Products

Technology Used in Chemical Process Safety and Thermal Hazard Analysis

 
 
 
 
 
 
 
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