Master of Science (MS)
Chemical and Materials Engineering
Kinetic Modeling, Methanol
The main purpose of this study was to investigate kinetic models proposed in the
literature for methanol synthesis and select the best fit model using regression techniques
in POLYMATH. Another aim was to use the results from the best fit model to explain
some aspects and resolve some questions related to methanol synthesis kinetics. Two
statistically sound kinetic models were chosen from literature based on their goodness of
fit to the respective kinetic data. POLYMATH, the non-linear regression software, was
used to fit published experimental data to different kinetic models and evaluate kinetic
parameters. The statistical results from POLYMATH were used for comparison of the
models and selection of the best fit model. The results obtained from the best fit kinetic
model were then used to analyze the trends and kinetic features related to methanol
synthesis. The study was primarily concentrated on the effect of reaction conditions on
the relative contribution of carbon monoxide and carbon dioxide in producing methanol.
The combined model that included both carbon monoxide and carbon dioxide hydrogenation rate terms was the best fit kinetic rate expression that described methanol synthesis kinetics most appropriately. A number of reaction conditions such as conversion, pressure, carbon monoxide to carbon dioxide ratio,and hydrogen content in the feed can have marked effects on the relative contribution of carbon monoxide and carbon dioxide in synthesizing methanol. Therefore, no generalizations can be made regarding the main carbon source in methanol.
Rahman, Daaniya, "Kinetic Modeling Of Methanol Synthesis From Carbon Monoxide, Carbon Dioxide, And Hydrogen Over A Cu/ZnO/Cr2O3 Catalyst" (2012). Master's Theses. 4162.