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Simular | Process Development Reaction Calorimeter
The Simular is a reaction calorimeter that is used within process development to investigate the thermal properties of a chemical reaction under the proposed operating conditions. The Simular allows for the optimization of process conditions for maximum product yield and minimal safety hazards, based on the derived thermodynamic and kinetic information of the reaction.
The Simular enables the determination of the plant cooling capacity required to keep a reaction isothermal (Tp), and the calculation of the maximum temperature the main reaction will reach in the event of a thermal runaway. The parameter known as the Maximum Temperature of Synthesis Reaction (MTSR) is a critical value in determining whether the emergency cooling capacity in a plant is capable of dealing with an increase in temperature. The Simular can be used to determine safer reaction conditions.
The Simular supports both the classical heat flow calorimetry method, and the quicker, more efficient, calibration-free power compensation calorimetry method, allowing selection of the most appropriate method for the scenario that is of interest.
Download Our Process Safety and Scale-up Brochure Download Our Specification Book For Process Safety and Scale-upApplications
Reaction Calorimetry
Thermal properties of the desired reaction (1)
The Simular measures the energy evolved in the reaction. Subsequently, this enables you to calculate the plant cooling capacity required to keep the reaction isothermal (Tp).
Thermal runaway of the reaction (2)
In the event of plant failure, it is critical to understand the maximum temperature the main reaction will reach during any subsequent thermal runaway.
The Simular enables the Maximum Temperature of Synthesis Reaction (MTSR) to be calculated from the data of the reaction. Multiple reaction conditions can also be screened to help understand the kinetics of the reaction. From this, it can be assessed whether there will be sufficient time and emergency cooling capacity to deal with the temperature increase.
Minimizing the risk
Hazard assessments may highlight insufficient plant emergency capacity to avert the risk of thermal runaway. The Simular can be used to explore and design safer reaction conditions, thereby facilitating the optimization of safe operations and minimizing process risk.
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Downloads
Download Our Process Safety and Scale-up Brochure Download Our Specification Book For Process Safety and Scale-upPublications
The following are a list of some technical publications which highlight the use of the equipment.
Thermal Hazards of Synthesizing a Grignard Reagent under Different Dosing Rates
Wei Wang , Jiancun Gao , Chenguang Shi, Shengnan Wang, Yujing Li, Xiong Dai, and Tianmeng Jiang
01-Mar-2022
https://doi.org/10.1155/2022/6776179(Subscription or purchase maybe required for full access)
Autonomous reorganization of the oscillatory phase in the PdI2 catalyzed phenylacetylene carbonylation reaction
Julie Parker & Katarina Novakovic
11-Feb-2016
https://doi.org/10.1007/s11144-016-0979-8(Subscription or purchase maybe required for full access)
The influence of reaction temperature on the oscillatory behaviour in the palladium-catalysed phenylacetylene oxidative carbonylation reaction
Katarina Novakovic,* Ankur Mukherjee, Mark Willis, Allen Wright and Steve Scott
01-Aug-2009
https://doi.org/10.1039/b905444h(Subscription or purchase maybe required for full access)
Kinetics Estimation and Single and Multi-Objective Optimization of a Seeded, Anti-Solvent, Isothermal Batch Crystallizer
M. Trifkovic, M. Sheikhzadeh, and S. Rohani
01-Feb-2008
https://doi.org/10.1021/ie071125g(Subscription or purchase maybe required for full access)
Achieving pH and Qr oscillations in a palladium-catalysed phenylacetylene oxidative carbonylation reaction using an automated reactor system
K.Novakovic, C.Grosjean, S.K.Scott, A.Whiting, M.J.Willis, A.R.Wright
01-Feb-2007
https://doi.org/10.1016/j.cplett.2006.12.040(Subscription or purchase maybe required for full access)
Control of Supersaturation in a Semibatch Antisolvent Crystallization Process Using a Fuzzy Logic Controller
H. Hojjati, M. Sheikhzadeh, and S. Rohani
11-Jan-2007
https://doi.org/10.1021/ie060967x(Subscription or purchase maybe required for full access)
Critical Assessment of Pharmaceutical Processes A Rationale for Changing the Synthetic Route
Mike Butters, David Catterick, Andrew Craig, Alan Curzons, David Dale, Adam Gillmore, Stuart P. Green, Ivan Marziano, Jon-Paul Sherlock, and Wesley White
08-Mar-2006
https://doi.org/10.1021/cr050982w(Subscription or purchase maybe required for full access)
Polymorph and Particle Size Control of PPAR Compounds PF00287586 and AG035029
Billie J. Kline,* James Saenz, Nebojsˇa Stankovic ́, and Mark B. Mitchell
01-Mar-2006
https://doi.org/10.1021/op050176r(Subscription or purchase maybe required for full access)
Thermal Hazards of the Vilsmeier−Haack Reaction on N,N-Dimethylaniline
Marcus Bollyn
03-Nov-2005
https://doi.org/10.1021/op0580116(Subscription or purchase maybe required for full access)
Isothermal reaction calorimetry as a tool for kinetic analysis
Andreas Zogg, Francis Stoessel, Ulrich Fischer, Konrad Hungerbühler
01-Sep-2004
https://doi.org/10.1016/j.tca.2004.01.015(Subscription or purchase maybe required for full access)
Scale-Up of a Vilsmeier Formylation Reaction: Use of HEL Auto-MATE and Simulation Techniques for Rapid and Safe Transfer to Pilot Plant from Laboratory
Ulrich C. Dyer, David A. Henderson, Mark B. Mitchell, and Peter D. Tiffin
01-Apr-2002
https://doi.org/10.1021/op0155211(Subscription or purchase maybe required for full access)
