Reaction Calorimetry for Studying Kinetics in Bulk Phase Polymerization of Propene

Kettner, Joana; Valaei, Sina; Bartke, Michael

doi:10.1002/mren.202000031

Cited by 2 publications

(5 citation statements)

References 25 publications

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“…Details about the measurement method, the setup of the equipment and the software‐sensor for evaluation are described elsewhere. [ 13 ]…”

Section: Methodsmentioning

confidence: 99%

“…Details about the measurement method, the setup of the equipment and the softwaresensor for evaluation are described elsewhere. [13] In homopolymerization reactions of propene, the relationship between the chemical heat flow and polymerization rate is given as…”

Section: Kinetic Measurement Principlementioning

confidence: 99%

“…[ 12 ] In our recent publication, two reaction calorimeter setups were introduced, that are utilized in our group for studying polymerization kinetics of propene in bulk phase. [ 13 ] The outlined methods included a power compensation calorimeter implemented in an existing 5 L reactor. It was demonstrated how the reactor is calibrated and how the kinetic rate profiles of bulk‐phase polymerizations of propene are extracted by use of a software‐sensor developed in our group.…”

Section: Introductionmentioning

confidence: 99%

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Multistep Bulk‐/Gas‐Phase Polymerization of Propene in a Reaction Calorimeter

Valaei

Bartke

2022

Macro Reaction Engineering

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Dedicated to Prof. Timothy McKenna on the occasion of his 60th birthdayThis article outlines a kinetic study of two different Ziegler-Natta type catalysts in multistep bulk-/gas-phase polymerization of propene in a reaction calorimeter. In the first stage, bulk-phase polymerization of propene, the matrix material is produced and kinetic information about the polymerization is extracted from power compensation calorimetry data. Focus is set on the influence of hydrogen on polymerization kinetics and comparing the performance of the two catalysts. In the 2nd stage, gas-phase copolymerization of propene and ethylene, an elastomeric copolymer is produced as impact modifier and kinetic information is obtained from semibatch operation in constant conditions. The influence of monomer/comonomer ratio on copolymerization behavior of the two catalysts is investigated and compared.

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“…Details about the measurement method, the setup of the equipment and the software‐sensor for evaluation are described elsewhere. [ 13 ]…”

Section: Methodsmentioning

confidence: 99%

Section: Kinetic Measurement Principlementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Multistep Bulk‐/Gas‐Phase Polymerization of Propene in a Reaction Calorimeter

Valaei

Bartke

2022

Macro Reaction Engineering

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“…Groups have found success using the heat flow curves generated from reaction calorimetry to identify "critical moments" during molecule formation. 30 This provides knowledge of when sampling could be used to isolate key intermediates. Alternatively, researchers have studied yields by dynamically adjusting the reaction temperature at specific stages of reagent addition or activity.…”

Section: ■ Introductionmentioning

confidence: 99%

“…Reaction calorimetry is well positioned to provide the tools to accomplish both of these objectives. Groups have found success using the heat flow curves generated from reaction calorimetry to identify “critical moments” during molecule formation . This provides knowledge of when sampling could be used to isolate key intermediates.…”

Section: Introductionmentioning

confidence: 99%

Reaction Calorimetry and Scale-Up Considerations of Bromo- and Chloro-Boron Subphthalocyanine

Knapik

Zigelstein

Saban

et al. 2023

ACS Chem. Health Saf.

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The formation mechanism of boron subphthalocyanines (BsubPcs) has thus far evaded researchers, making it nearly impossible to accurately estimate the overall reaction enthalpy�a critical metric for determining chemical process safety for scale-up. To address this gap, reaction calorimetry was used to collect thermokinetic data for a baseline Br-BsubPc reaction at three temperatures and two BBr 3 reagent ratios and a proposed semibatch process for Cl-BsubPc. For the Br-BsubPc process, the magnitude of the enthalpy of reaction (ΔH r ) increased with increasing reaction temperature, from −244.6 kJ/mol-BBr 3 at 25 °C to −332.7 kJ/mol-BBr 3 at 50 °C to −391.3 kJ/mol-BBr 3 at 75 °C. However, this increase in the magnitude of ΔH r did not result in a noticeable increase in Br-BsubPc yield, achieving 50%, 49%, and 52% yields at 25 °C, 50 °C, and 75 °C, respectively. When the molar equivalence of BBr 3 was increased by 1.5× at 25 °C, the magnitude of ΔH r increased slightly (−252.2 kJ/mol-BBr 3 ), but the yield did not improve (47%). Therefore, further attempts were made to try and improve the yield of Br-BsubPc by increasing the molar equivalence of BBr 3 . It was found that BBr 3 equivalencies greater than 0.48 resulted in significant reductions in Br-BsubPc yield. The ΔH r of the semibatch Cl-BsubPc process was −266.5 kJ/mol-BCl 3 with a yield of 33%. These processes were assessed based on criticality criteria and were both found to be "Criticality Class 1", which is relatively safe for scale-up. Based on the calorimetry measurements, preliminary estimates for process conditions and reactor design for scale-up are provided.

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Reaction Calorimetry for Studying Kinetics in Bulk Phase Polymerization of Propene

Cited by 2 publications

References 25 publications

Multistep Bulk‐/Gas‐Phase Polymerization of Propene in a Reaction Calorimeter

Multistep Bulk‐/Gas‐Phase Polymerization of Propene in a Reaction Calorimeter

Reaction Calorimetry and Scale-Up Considerations of Bromo- and Chloro-Boron Subphthalocyanine

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