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Stoichiometric network analysis of the model of oscillatory carbonylation of PEGA in open reactor

Lookup NU author(s): Dr Macesic Macesic, Dr Katarina Novakovic

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Abstract

The model of palladium-catalysed oscillatory carbonylation of mono-alkyne terminated poly(ethylene glycol)methyl ether acetylene (PEGA) was adapted to simulate continuous flow stirred tank reactor (CSTR) with substrate and catalyst being flown in and out while intermediary species being only flown out. Stability analysis was then performed using stoichiometric network analysis (SNA). By employing SNA, possible reaction routes in this model were determined together with the types of bifurcations which can occur.


Publication metadata

Author(s): Macesic S, Cupic Z, Novakovic K, Anic S, Kolar-Anic Lj

Editor(s): Željko Čupić and Slobodan Anić

Publication type: Conference Proceedings (inc. Abstract)

Publication status: Published

Conference Name: 14th International Conference on Fundamental and Applied Aspects of Physical Chemistry

Year of Conference: 2018

Number of Volumes: 2

Pages: 349-352

Online publication date: 24/09/2018

Acceptance date: 31/05/2018

Publisher: Society of Physical Chemists of Serbia

URL: http://www.socphyschemserb.org/en/events/pc2018/

Library holdings: Search Newcastle University Library for this item

Series Title: Physical Chemistry 2018

Series Editor(s): Željko Čupić and Slobodan Anić

ISBN: 9788682475361


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