Analysis of acetic acid gas phase reactivity: Rate constant estimation and kinetic simulations
نویسندگان
چکیده
منابع مشابه
Kinetic Study, Modeling and Simulation of Homogeneous Rhodium-Catalyzed Methanol arbonylation to Acetic Acid
Thermodynamic restrictions and simultaneous effects of operational conditions on the homogeneous rhodium-catalyzed carbonylation of methanol are studied in this line of research. It is shown that the general NRTL-Virial model can be appropriated to study thermodynamics of the carbonylation. It is obtained that the reaction is kinetically and thermodynamically reasonable at temperatures abov...
متن کاملGas phase synthesis and reactivity of dimethylaurate.
A combination of multistage mass spectrometry experiments and DFT calculations were used to examine the synthesis and reactivity of dimethylaurate. Collision induced dissociation (CID) of [(CH(3)CO(2))(4)Au](-) proceeded via reductive elimination of acetylperoxide to yield the diacetate [CH(3)CO(2)AuO(2)CCH(3)](-), which in turn underwent sequential CID decarboxylation reactions to yield the or...
متن کاملGas-Phase Thermal Tautomerization of Imidazole-Acetic Acid: Theoretical and Computational Investigations
The gas-phase thermal tautomerization reaction between imidazole-4-acetic (I) and imidazole-5-acetic (II) acids was monitored using the traditional hybrid functional (B3LYP) and the long-range corrected functionals (CAM-B3LYP and ωB97XD) with 6-311++G** and aug-cc-pvdz basis sets. The roles of the long-range and dispersion corrections on their geometrical parameters, thermodynamic functions, ki...
متن کاملkinetic study of acetic acid synthesis by methanol carbonylation process
the aim of this paper is to study the kinetic study carbonylation of methanol using of the homogeneous rhodium catalyst and ch3i as the promoter in acid media based on monsanto process. the reaction was carried out in liquid media in the constant pressures 20,28 and 40 atm. and temperatures 170 to185oc, espect to the initial reactant concentrations and co pressure. it was identified that the...
متن کاملThe bimolecular reactivity of gas phase dications
This thesis reports the results of experiments investigating the reactivity of gas phase dications in collisions with neutral molecules at collision energies between leV and 14 eV in the laboratory frame using crossed beam techniques. Product ion intensities are measured using time of flight mass spectrometry and integral reaction cross sections are extracted from raw data for the various react...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Proceedings of the Combustion Institute
سال: 2019
ISSN: 1540-7489
DOI: 10.1016/j.proci.2018.06.137