New chemical kinetic reaction mechanisms are developed for two of the five major components of biodiesel fuel, methyl stearate and methyl oleate. The mechanisms are produced using existing reaction classes and rules for reaction rates, with additional reaction classes to describe other reactions unique to methyl ester species. Mechanism capabilities were examined by computing fuel/air autoignit...

the reaction of ch₃nh₂ with o₂ on the singlet potential energy surfaces (pes) was carried out using the b3lyp, ccsd(t) and g3b3 theoretical approaches along with 6-311++g(3df,3pd) basis set. the suggested mechanism for the title reaction consists of one pre-reactive complex. from the pre-reactive complex, nine types of products, ch2nh+h2o2, ch3nh+ooh, nh2cho+h2o, ch2nho+h2o, nh3+hcooh, ch2nh+h2...

SHAHAB is a PC- based simulator developed by Olefin Research Group (ORG), with the simultaneous simulation of the reactor, the firebox, the convection section and the transfer line exchanger in steam Cracking units. The reaction mechanism of thermal cracking of hydrocarbons is generally accepted as free-radical chain reactions. Using a rigorous kinetic model, a complete reaction network for rep...

Abstract: Reduction of the Titanium dioxide, TiO2, by methane was investigated in this work. The thermodynamic of reaction was examined and found favorable. The reaction of titanium dioxide with methane was carried out in the temperature range 1150°C to 1450°C at atmospheric pressure with industrial high porosity pellets prepared from titanium dioxide powder. The evolved gas analyzing method wa...

The high silica Mn-substituted MFI metallosilicate catalyst with Si/Al molar ratio of 220 and Si/Mn molar ratio of 50 was successfully synthesized by hydrothermal method. The catalyst sample was appropriately characterized by XRD, FE-SEM, EDX and BET techniques. The Mn-substituted MFI metallosilicate has not been reported as the potential catalyst for the methanol to propylene (MTP) reaction. T...

the kinetic of fischer-tropsch synthesis over a co-precipitated fe-ce catalyst was investigated in a fixed bed micro reactor. experimental conditions were varied as follow: reaction pressure 1-15bar, h¬¬¬2/co feed ratio of 1-3 and space velocity of 3600-5400 h-1 at the temperature range of 270-310°c. 4 models according to the langmuir-hinshelwood-hougen-watson (lhhw) type rate equation were der...

The kinetic of Fischer-Tropsch synthesis over a co-precipitated Fe-Ce catalyst was investigated in a fixed bed micro reactor. Experimental conditions were varied as follow: reaction pressure 1-15bar, H¬¬¬2/CO feed ratio of 1-3 and space velocity of 3600-5400 h-1 at the temperature range of 270-310°C. 4 models according to the Langmuir-Hinshelwood-Hougen-Watson (LHHW) type rate equation were der...