2. Calculationmethod
ThecalculationmethodisbasedontheGibbsprincipleof
minimumfreeenergy.Firstofall,theinitialconditionsare
confirmed,suchassystemtemperatureandsystemtotalpressure.
The temperaturerangeinthisworkwasfrom973.15Kto
1473.15K;thesystemtotalpressurewas0.01atm.;themolesof
SiCl3CH3 was3;define α¼[H2]/[SiCl3CH3], β¼3[NH3]/
[SiCl3CH3], ([X]standsfororiginalmolarquantityofmaterial
X) and α rangesfrom5to20,while β rangesfrom0to45.
Secondly,allofthethermodynamiccalculationdataisfromthe
databaseofFactsagesoftware.
The thermodynamicphasediagramandthree-dimensional
yield mapweredrawnusingtheFactsagecalculationresults
which determinedtherelationshipbetweenreactionparameters
and condensedproduct.