Through initial rate data, the apparent (power law-PL) and mechanistic rate equations for the thermal degradation of 2-amino-2-methyl-1-propanol (AMP) to 4,4-Dimethyl-1,3-oxazolidin-2-one (DMOZD) as function of amine and CO2 concentration in the solution were extracted. The reaction kinetics parameters including activation energies and pre-exponential factors for both approaches were defined.1, 2 Experimental Conditions: The rate experiments were carried out at 120, 135 and 150 °C, in the aqueous solutions of 1.12 - 3.36 M, AMP and CO2 loadings of 0.17- 0.7, molCO2/molAMP. Method of Analysis: IC and HPLC/MS have been used for AMP and DMOZD, analysis, respectively. Results: Power law and mechanistic approach both present good prediction from experimental data. While mechanisms (II) and (III) have reasonable estimations, mechanism (I) with adjustable reaction order, has best prediction from experimental data. However, results from mechanism (III) provide the activation energy of 23.91 (kJ/mol) for the forward reaction of AMP with CO2 to form a zwitterion, and 24.47 (kJ/mol) for the reverse reaction, i.e. zwitterion conversion to AMP and CO2, both values are fairly consistent with literature reported values. According to the mechanism (III) zwitterion shows higher tendency to decay to its predecessor reactants, k1/k-1 0.03. Conclusion: The temperature dependent reaction rate constant for the power law rate equation varies from 16 10-9 (mol/L)(1-a-b).s- 1 at 120 °C to 26 10-8 (mol/L)(1-a-b).s-1 at 150 °C. In the case of k2<<k-1, the reaction rate model extracted from mechanism (I), can simply reduce to power law equation. Considering different mechanisms and non-integer reaction orders for reactants demonstrates that the actual reaction mechanism may be more complex.
|Title of host publication||Poster Sessions 2017 - Core Programming Area at the 2017 AIChE Annual Meeting|
|Number of pages||1|
|State||Published - 2017|
|Event||Poster Sessions 2017 - Core Programming Area at the 2017 AIChE Annual Meeting - Minneapolis, United States|
Duration: Oct 29 2017 → Nov 3 2017
|Name||Poster Sessions 2017 - Core Programming Area at the 2017 AIChE Annual Meeting|
|Conference||Poster Sessions 2017 - Core Programming Area at the 2017 AIChE Annual Meeting|
|Period||10/29/17 → 11/3/17|
Bibliographical notePublisher Copyright:
© 2016 Elsevier B.V. All rights reserved.
Copyright 2018 Elsevier B.V., All rights reserved.
ASJC Scopus subject areas
- Safety, Risk, Reliability and Quality
- Chemical Engineering (all)