Subhash Bhatia

Evaluating the accuracy of density functional methods for ClOO

We present results of density functional calculations on ClOO using the local density approximation (LDA) and the Becke–Lee–Yang–Parr functional (BLYP). The accuracy of computed geometries and vibrational frequencies appears comparable to that achieved with very high quality single‐determinant methods [QCISD(T)].

Nanocrystalline Zeolite Y: Synthesis and Characterization

Nanocrystalline zeolite has received significant attention in the catalysis community. Zeolites with a crystal size smaller than 100 nm are the potential replacement for existing zeolite catalysts due to its unique features with added advantages. Zeolite FAU type Y is one of the most studied framework of all zeolites, and has been used as catalysts for number of reactions in the refinery and petrochemical industry. The present paper covers the synthesis of nanocrystalline zeolite Y under hydrothermal conditions from clear synthesis mixtures. The crystal size of zeolite Y is influenced by temperature, aging time, alkalinity, and water content. The synthesized Y is characterized by X-ray diffraction (XRD), Fourier Transmission Infrared Sprectroscopy (FTIR), Transmission Electron Microscope (TEM), Scanning Electron Microscope (SEM) and Nitrogen Adsorption.

Catalytic inorganic membrane reactors: present research and future prospects

Abstract The integration of reaction and separation in catalytic membrane reactors is gaining much attention in both academic and industrial research due to its huge potential for a wide range of chemical reaction applications. The use of inorganic membranes in catalytic membrane reactors is being widely considered because the chemical reactions to be carried out in such reactors are normally conducted in harsh conditions concerning both temperature and the chemical environment. There are a number of chemical processes being employed using catalytic membrane reactors, such as dehydrogenation, water-gas shift reaction, methane steam reforming, partial oxidation of methane to synthesis gas, and oxidative coupling of methane to C2hydrocarbons. All these processes are evaluated and discussed in this article. The future prospects of catalytic membrane reactors are also presented.