Shrinjay Sharma
PhD candidate
Delft University of Technology

Department
Process and Energy Department, 3mE Faculty
Contact information
Room
Process and Energy Building - 34K 1.280
Email address
S.Sharma-6@tudelft.nl
Key expertises
Heterogeneous Catalysis, Electrochemical Energy Storage and Conversion, Molecular Simulations, Computational Transport Phenomena
About me
I was born and brought up in Guwahati, a city in the north-eastern part of India. I did my bachelors in Mechanical Engineering. Then, I came to the Netherlands for pursuing my masters at TU Delft. My specialization was in Energy and Process Technology. During my masters, I developed interests in catalysis and sustainable process technologies. I joined Process and Energy department at TU Delft as a PhD candidate in May 2021. During my spare time, I like to do painting.About my research
My research topic is shape selective catalysis in hydroisomerisation reaction. It transforms linear chains of hydrocarbons into branched structures. It is useful in improving the quality of gasoline and dewaxing of hydrocarbons. The reaction takes place in a group of catalyst called zeolites. My goal is to understand the effect of the shape and structure of these catalysts on the product selectivity. It involves different fundamental processes like adsorption/desorption, reaction kinetics and micro/nano-porous diffusion inside the catalyst. I am taking a multiscale modelling approach ranging from molecular to continuum scale to understand these phenomena. Further, this should help the industry to design better reactors and processes for this reaction.Academic career
ARC CBBC publications
Review of group contribution methods for prediction of thermodynamic properties of long-chain hydrocarbons
Ziyan Li, Leonidas Constantinou, Richard Baur, David Dubbeldam, Sofia Calero, Shrinjay Sharma, Thijs Vlugt
Machine Learning-Based Predictions of Henry Coefficients for Long-Chain Alkanes in One-Dimensional Zeolites: Application to Hydroisomerization
Shrinjay Sharma, Ping Yang, Yachan Liu, Kevin Rossi, Peng Bai, Marcello S. Rigutto, Erik Zuidema, Umang Agarwal, Richard Baur, Sofia Calero, David Dubbeldam, Thijs J.H. Vlugt*
Second-order group contribution method for Tc, Pc, ω, ΔGf0, ΔHf0 and liquid densities of linear and branched alkanes
Ziyan Li, Leonidas Constantinou, Richard Baur, David Dubbeldam, Sofia Calero, Shrinjay Sharma, Marcello Rigutto, Poulumi Dey & Thijs. J. Vlugt
Implementation of energy and force grids in molecular simulations of porous materials
Youri A. Rana, Joseph Tapia, Shrinjay Sharma, Peng Bai, Sofia Calero, Thijs J. H. Vlugt & David Dubbeldam
TAMOF-1 for capture and separation of the main flue gas components†
S.Sharma, S. Gooijer, S.Capelo-Aviles, S. Giancola, J.R. Galan-Marcos, T.J.H. Vlugt, D. Dubbeldam, J.M. Vincent-Luna and S. Calero
Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization
S. Sharma, R. Baur, M. Rigutto, E. Zuidema, U. Agarwal, S. Calero, D. Dubbeldam, and T.J.H. Vlugt
Prediction of Thermochemical Properties of Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization
S. Sharma, J. Sleijfer, J. op de Beek, S. van der Zeeuw, D. Zorzos, S. Lasala, M. Rigutto, E. Zuidema, U. Agarwal, R. Baur, S. Calero, D. Dubbeldam, T. Vlugt
Understanding shape selectivity effects of hydroisomerization using a reaction equilibrium model
S. Sharma, M.S. Rigutto, E. Zuidema, U. Agarwal, R. Baur, D. Dubbeldam, and T.J.H. Vlugt
RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models
S. Sharma, M.S. Rigutto, R. Baur, U. Agarwal, E. Zuidema, S.R.G. Balestra, S. Calero, D. Dubbeldam, and T.J.H. Vlugt
Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities
S. Sharma, M.S. Rigutto, R. Baur, U. Agarwal, E. Zuidema, S.R.G. Balestra, S. Calero, D. Dubbeldam, and T.J.H. Vlugt
Kinetics of zeolite-catalyzed heptane hydroisomerization and hydrocracking with CBMC-modeled adsorption terms: Zeolite Beta as a large pore base case
U. Agarwal, M.S. Rigutto, E. Zuidema, A.P.J. Jansen, A. Poursaeidesfahani, S. Sharma, D. Dubbeldam, and T.J.H. Vlugt