Abstract
| Original language | English |
|---|---|
| Pages (from-to) | 6237-6247 |
| Journal | Industrial & Engineering Chemistry Research |
| Volume | 48 |
| Issue number | 13 |
| DOIs | |
| Publication status | Published - 2009 |
| MoE publication type | A1 Journal article-refereed |
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Kinetics of neopentyl glycol esterification with different carboxylic acids. / Vahteristo, Kari (Corresponding Author); Maury, Sylvie; Laari, Arto; Solonen, Antti; Haario, Heikki; Koskimies, Salme.
In: Industrial & Engineering Chemistry Research, Vol. 48, No. 13, 2009, p. 6237-6247.Research output: Contribution to journal › Article › Scientific › peer-review
TY - JOUR
T1 - Kinetics of neopentyl glycol esterification with different carboxylic acids
AU - Vahteristo, Kari
AU - Maury, Sylvie
AU - Laari, Arto
AU - Solonen, Antti
AU - Haario, Heikki
AU - Koskimies, Salme
PY - 2009
Y1 - 2009
N2 - The aim of this work was to study the reaction kinetics of neopentyl glycol esterification with different carboxylic acids (propionic acid, isobutyric acid and 2-ethylhexanoic acid). The experiments were carried out in a batch reactor as reactive distillation removing continuously one reaction product (water) by purging nitrogen through the reactor. Commercial heterogeneous gellular (Dowex 50WX2) and macroreticular (Amberlyst 15) type resins and homogeneous para-toluene sulfonic acid were compared as catalysts. The gellular type resin was dried before loading into the reactor. When performing esterification of neopentyl glycol with different acids the observed formation of monoester was clearly much faster than the consecutive esterification of monoester to diester. A disproportionation reaction was also found to take place. The reliability of the estimated Arrhenius parameters was analyzed using Bayesian inference and Markov chain Monte Carlo methods (MCMC). MCMC analysis was also used to study uncertainties in the model predictions and in some additional parameters, such as reaction rate constants calculated from the estimated parameters. This cannot be done by classical regression analysis.
AB - The aim of this work was to study the reaction kinetics of neopentyl glycol esterification with different carboxylic acids (propionic acid, isobutyric acid and 2-ethylhexanoic acid). The experiments were carried out in a batch reactor as reactive distillation removing continuously one reaction product (water) by purging nitrogen through the reactor. Commercial heterogeneous gellular (Dowex 50WX2) and macroreticular (Amberlyst 15) type resins and homogeneous para-toluene sulfonic acid were compared as catalysts. The gellular type resin was dried before loading into the reactor. When performing esterification of neopentyl glycol with different acids the observed formation of monoester was clearly much faster than the consecutive esterification of monoester to diester. A disproportionation reaction was also found to take place. The reliability of the estimated Arrhenius parameters was analyzed using Bayesian inference and Markov chain Monte Carlo methods (MCMC). MCMC analysis was also used to study uncertainties in the model predictions and in some additional parameters, such as reaction rate constants calculated from the estimated parameters. This cannot be done by classical regression analysis.
U2 - 10.1021/ie801920m
DO - 10.1021/ie801920m
M3 - Article
VL - 48
SP - 6237
EP - 6247
JO - Industrial & Engineering Chemistry Research
JF - Industrial & Engineering Chemistry Research
SN - 0888-5885
IS - 13
ER -