in the recent work, the reaction mechanism between triphenylphosphine 1, dialkyl acetylenedicarboxylates 2 in the presence of nh-acid, such as 5-aminoindazole 3 were investigated theoretically. quantum mechanical studies were performed for evaluation of potential energy surfaces of all structures participated in the reaction mechanism both in gas phase and in dichloromethane. the first step of ...

the olefins polymerization process in a slurry reactor is discussed. the reaction rate dynamics was analyzed and the contributions of feed flow, gas-liquid mass transfer, polymerization reaction, and catalyst deactivation were estimated. the propylene solubility in a solvent mixture “heptane” was calculated using soave-redlich-kwong equation of state. these data were then approximated by henry-...

Air-blown gasification of biomass in fluidized bed reactors produces relatively low concentrations of hydrogen. The combination of a catalyst and calcium-based sorbent is being developed to increase the efficiency of converting producer gas from biomass gasification into hydrogen. The conversion process entails reforming the methane and tar, and converting carbon monoxide into hydrogen by the w...

The oxidation characteristics of airborne carbon nanoparticles were investigated at various temperatures and NO(2) concentrations. Airborne carbon nanoparticles were generated by spark-discharging method using nitrogen as a carrier gas. Monodisperse carbon particles classified using a differential mobility analyzer were introduced into a tube furnace with NO(2) for oxidation reaction. The size ...

A small-size gasification unit is improved through process optimization to simulate industrial United Gas Improvement Company gasification. It finds that the reaction temperature has important impacts on semicoke catalyzed methane gas mixture. The addition of water vapor can enhance the catalytic activity of reforming, which is due to the fact that addition of water vapor not only removes carbo...

Investigating how formamide forms in the interstellar medium is a hot topic in astrochemistry, which can contribute to our understanding of the origin of life on Earth. We have constructed a QM/MM model to simulate the hydrogenation of isocyanic acid on amorphous solid water surfaces to form formamide. The binding energy of HNCO on the ASW surface varies significantly between different binding ...

The aromatization reaction of liquefied petroleum gas has been studied by using three liquefied petroleum gases as raw material and LBO-A as catalyst, and four lump kinetics models networks have been put up on the basis of lump theory and the aromatization reaction mechanism. In the network the aromatization reaction species was firstly lumped into C 4 , propylene, low molecule hydrocarbon, liq...

Dedicated to Prof. G. M. Schwab on the occasion of his 80th birthday The reaction of oxygen and CO to form CO2 has been investigated using an Ir (111) surface as an acting catalyst. Both instationary and stationary reaction processes have been established via separate gas exposing techniques. The instationary reaction process, achieved from coadsorbed CO and O which per se is an LH reaction is ...