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

PhD candidate 2021-present: PhD candidate in the group of Engineering Thermodynamics in Process and Energy Department at TU Delft. Under the supervision of Prof.dr.ir. Thijs J. H. Vlugt. Thesis - Modelling of shape selective catalysis of hydroisomerisation reaction. Master’s student 2018-2020: Master’s degree in Mechanical Engineering (specialization in Process and Energy) from Delft University of Technology. Under the supervision of Dr.ir. Earl Goetheer. Thesis: Dynamic electrochemical promotion of catalysis. Bachelor’s student 2014-2018: B-Tech degree in Mechanical Engineering from National Institute of Technology Silchar, India. Under the supervision of Dr. Sujit Nath. Thesis: Comparative study of different packed bed thermal energy storage systems using encapsulated phase change material (PCM).

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