000173229 001__ 173229
000173229 005__ 20180913061035.0
000173229 037__ $$aPOST_TALK
000173229 245__ $$aMeasurement and modelling of semi-batch reactions using small-scale reaction calorimetry, in-situ spectroscopy and gas consumption/production
000173229 269__ $$a2006
000173229 260__ $$c2006
000173229 336__ $$aPosters
000173229 520__ $$aThe rapid and complete characterization of chemical reaction mechanisms is of the utmost importance in terms of chemical understanding, safety and efficiency. In this presentation a new small volume reaction calorimeter (25-45mL) is described. With this reactor it is possible to make in-situ UV-vis and IR measurements, calibration free calorimetry measurements and gas production/consumption measurements. Firstly, the operating principle of the reactor is outlined. Following this, its application to the three-phase hydrogenation of nitrobenzene and ethyl-4-nitrobenzoate is shown along with the type of qualitative interpretation that can rapidly be made from the multiple in-situ signals.   <br><br> The fitting of chemical models to data collected with the reactor is complex and involves the evaluation of the model parameters against multiple objective functions that do not always share the same optimal parameter values. A multiobjective function genetic algorithm has been developed for this task and its application to calorimetric and spectroscopic data measured during the epoxidation of 2,5-di-tert-butyl-1,4-benzoquinone will be shown.
000173229 700__ $$aGianoli, Stefano
000173229 700__ $$0(EPFLAUTH)148974$$aRichner, Gilles$$g148974
000173229 700__ $$0245987$$aBilleter, Julien$$g139764
000173229 700__ $$aVisentin, Fabio
000173229 700__ $$aPuxty, Graeme
000173229 700__ $$0(EPFLAUTH)136712$$aHungerbühler, Konrad$$g136712
000173229 7112_ $$aSymposium of the Swiss Society for Thermal Analysis and Calorimetry (STK)$$cFribourg (Switzerland)$$dJune 16, 2006
000173229 8564_ $$s1026891$$uhttps://infoscience.epfl.ch/record/173229/files/Gianoli%20et%20al%2C%202006%20Symposium%20of%20the%20STK%20%28Poster%29.pdf$$yPublisher's version$$zPublisher's version
000173229 909C0 $$0252446$$pIGM$$xU10306
000173229 909CO $$ooai:infoscience.tind.io:173229$$pSTI$$pposter
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000173229 937__ $$aEPFL-POSTER-173229
000173229 973__ $$aOTHER$$sPUBLISHED
000173229 980__ $$aPOSTER