Renjith S. Pillai Email & Phone Number

Thiruvananthapuram, Kerala, India

Thiruvananthapuram, Kerala, India

Thiruvananthapuram, Kerala, India

Bangalore Urban, Karnataka, India

I employ both computational chemistry techniques and advanced experimetal tools to research and design of novel porous materials, such as Zeolities & Metal-Organic Frameworks (MOFs). Specialties: - Computational Chemistry including Force-field based simulations (Monte Carlo, Molecular Dynamics), Density Functional Theory (DFT) and ab initio techniques - Separation and Purification technologies - Adsorption and diffusion in porous materials - Modelling of electronic structure of catalysts

Chennai Area, India

https://sites.google.com/view/mmpmgroup/home

Thiruvananthapuram Area, India

Montpellier Area, France

Design novel Metal Organic Framework (MOF) materials for gas separation and purifications by combined molecular simulation and experimental efforts Design novel and efficient Metal Organic Framework (MOF) materials with an aim to separate CO2 from flue gases and Natural/bio/landfill gases more efficiently (Associated with a multi institutional European Union project i.e. MOF based Mixed Matrix Membrane for CO2 capture, M4CO2, www.m4co2.eu), to find better proton conducting MOF, and to understand Mechanical behavior of MOFs (Promising Materials For Energy Storage) Providing advanced computational calculation, theoretical support and ensuring reliable operations in the area of material characterization of MOF based adsorbents and catalysts Experience in QM & MM molecular simulation using CP2K, CASTEP, CADDS, DL_POLY etc. and basic knowledge in computational chemistry programming with Bash, Fortran, Perl, etc

Aveiro Area, Portugal

Development of better adsorbents such as titanosilicates, PMO and MOF for ethane selective adsorbent for ethylene purification Designing of novel materials for the purpose to upgrade biogas by utilizing Quantum Mechanical and Molecular Mechanic methods Providing advanced computational calculation, theoretical support and ensuring reliable operations in the area of material characterization of PMO and ETS based adsorbents and catalysts Experience in QM & MM molecular simulation using Gaussian Software, VASP, MUSIC, DL_POLY etc. and basic knowledge in computational chemistry programming with Bash and Fortran Handled the instruments for Volumetric adsorption and break through analysis

Budapest

It was a multi-institutional collaborative European project for developing metal doped porous carbon materials with specific properties for removal of toxic gases in military purposes. Transition metals were used as modifiers. The sorbents were characterized by advanced techniques. A new class of aerogel carbons were synthesized and characterized at Budapest University. Molecular modeling studies were done to characterize the adsorption properties. Providing advanced technical support and ensuring smooth operations in the area of toxic gas removal and material characterization of carbon based adsorbent Synthesis and characterization of Carbon materials like aerogel, nanotubes etc. Handled the instruments for surface characterization

Vadodara Area, India

Worked in industrially reliable projects at Reliance Industries Limited, it is one of the fast growing petroleum refining and petrochemical industries in the world. It is also emerged as largest Vegetable and Fruit retail industry in India.The project was aimed to search suitable catalysts in various industrial applications like cracking, refining, self life enhancement of fruits/vegetable, and adsorbent for adsorptive separation of gases and liquid hydrocarbons, storage of gases etc. Materials like Zeolites, MCM, OMS, Titanosilicate, MOFs, Sulfated zirconia etc. were taken as suitable catalysts. Theoretical methods based on Density Functional Theory were used to calculate catalytic reaction mechanism and adsorption energies of gas molecules on porous materials to understand the experimental observations. Also, with the knowledge of preferred adsorption sites of these materials, adsorption isotherms were generated using Grand Canonical Monte Carlo simulations and these isotherms are correlating with experimentally measured one. Involved in synthesis, modifications, and characterization of nanoporous and layered materials Evaluation of the adsorbents by pure and multi component adsorption studies QM & MM studies for understanding adsorptive and catalytic properties in separation involved in refining and petrochemical reactions Olefin/Paraffin separation by adsorption process, carbonyl removal from PDEB, aromatic removal LNP etc.

Bhavnagar Area, India

Project Assistant in collaborative project between CSMCRI & NTPC entitled “Development of Novel Adsorbents for sequestration of Carbon Dioxide from flue gases” Involved in synthesis, modifications, and characterization of nanoporous zeolite, titanosilicate, MOF, MCM materials Theoretical understanding of the modified zeolite materials by utilizing modeling software like Cerius2, DMOL3, CASTEP, MS Sorption, Materials Studio etc. Evaluation of the adsorbents by pure and multi component adsorption studies, CO2 separation from flue gas, O2 enrichment in air, H2 & CH4 storage and CO recovery from tail gas by adsorption process Had been part to establish computational facility in an experimental group with the help of molecular modeling software provider Accelrys, India Ltd, and operated the instruments for surface area, pore size distribution, volumetric and gravimetric adsorption instruments and breakthrough measurements

Doctor Of Philosophy (Ph.D.), Physical Chemistry

Master Of Science (Ms), Chemistry

Sslc, General Subjects