Dr. Yamini Sistla | Department of Chemical Engineering


Dr. Yamini
Assistant Professor
Department of Chemical Engineering
School of Engineering (SoE)
Block-D, Shiv Nadar University
Greater Noida Uttar Pradesh
Profile Summary 
  • 15 years of strong research background, underpinning with molecular modeling, process modeling simulation and optimization and experiments.
  • Strong expertise in ionic liquids, CO2 capture, refinery separation (gas & liquid) and catalytic processes and polymers.
  • Published 9 papers in reputed international journals with total number of citations 322.
  • Greenbelt Certified and SixSigma trained at Honeywell UOP.
  • Delivered several presentations at~20 national/international conferences/workshops
  • Received recognition awards at Honeywell UOP, for noteworthy and timely contributions to ionic liquids based projects and addressing mechanistic aspects of cyclization for next generation platforming catalyst, while demonstrating teamwork, networking, leadership and mentoring skills.
  • Initiated and successfully established Ionic Liquid synthesis laboratory at IIT Kanpur to Synthesize novel ionic liquids for various gas and liquid separation applications.
  • Expert in using molecular modeling software such as Gaussian, Material Studio, ORCA, LAMMPS, VASP, COSMOTherm and Turbomole.
  • Expert in applying molecular modeling techniques to diverse applications including development of edible and bio-degradable packaging films and coatings;, CO2 capture; extractive desulfurization; corrosion inhibitors; thermally stable coating materials; structure-property relationships of various speciality materials; dielectric properties of materials; homogeneous and heterogeneous catalytic processes; ionic liquids; gas and liquid separation processes.
  • Expert in Aspen Hysys, Unisim for developing, simulating and troubleshooting detailed process plant flowsheet.
  • Expert in experimental work related to synthesizing task specific ionic liquids; synthesis of supported ionic liquid zeolites, absorption and adsorption based separation processes; bio-polymer based packaging films; synthesizing high density polyethylene; synthesis of catalysts for few processes.
Educational Qualifications 
Ph.D. in Chemical Engineering
Indian Institute of Technology Kanpur
M.Tech in Chemical Engineering
Indian Institute of Technology Kanpur
B.Tech in Chemical Engineering
Sri Venkateswara University College of Engineering, Tirupati
Work Experience 
Assistant Professor,
Department of Chemical Engineering, Shiv Nadar University, Delhi-NCR
I currently work here
Sr. R&D Engineer,
Honeywell UOP,
Senior Research Fellow,
Defense Materials Stores Research and Development Establishment (DMSRDE),
Engineering Executive,
Hybrid Technologies,
Teaching & Research Interests: 

Courses Taught

  1. Chemical Engineering Thermodynamics
  2. Modeling and Simulation of Chemical Engineering Systems
  3. Chemical Process Technology
  4. Mass Transfer Operations
  5. Polymer Science

Research Projects in Progress

  • Molecular Modeling, Simulation & Dynamics
  • Biopolymers based Edible and Bio-degradable Coatings and Films
  • CO2 capture
  • Refinery Separation Processes (Gas & Liquid)
  • Process Simulation, Optimization & Control
  • 3D printing of Bio-polymer based Packaging Films

Future Research Focus

  • CO2 Conversion
  • Ionic Liquids and their applications
  • Polymer Reaction Engineering: Modeling, Synthesis & Catalysis
  • Catalytic processes
  • Energy Storage Materials
  • Hydrogen Storage Materials

Ongoing Research

1. Developing Biopolymer Based Edible Films for Food Packaging Applications: Experimetns and Molecular Modeling

The project aims at developing various novel edible biopolymer film coating formulations with required aesthetic, adhesion, physical, chemical and antimicrobial properties for various types of food packaging applications by using experimental, statistical and computational modeling (Molecular Modeling and Simulation).

2. Rational Design of Novel Solvents and Sorbents for Efficient Carbon Dioxide Capture and Acid Gas Separation: Molecular Modeling and Process Simulation

The main aim of the project is to develop green, ionic liquid based novel solvents having low Viscosity, low molecular weight, low specific heat capacity, excellent thermal stability. These novel solvents are aimed to achieve high gravimetric gas absorption capacity, high-energy efficiency, and high selectivity of acid gases such as CO2 and H2S over methane and nitrogen gases. The objectives will be achieved through experimental studies, molecular modeling and process modelng and simulation.

B.Tech Major Projects Guided (July 2018 – June 2021)

  1. Molecular Modeling Studies of Galacturonic acid interactions with water, oxygen and carbon dioxide and ionic liquid interactions with carbon dioxide
  2. Feasibility Analysis of Aromatic Extraction Using Ionic Liquid as a Solvent : Aspen Plus based Process Simulation
  3. Desulfurization of Fuel Oil Using Solvent Extraction Method: Aspen Plus based Process Simulation
  4. Development of Biopolymer Based Edible Films: Experiments and Molecular Modeling
  5. Modeling and Simulation of Amine Scrubbig Process for CO2 Capture: Aspen Plus based Process Simulation
  6. Development of Polyols and Polyurethane (Mentor at SNU)
  7. Computational  Studies of 2,6 Pyridine-dicarboxime – Poly (dimethylsiloxane) network   for the development of parameters  in application to self-healing polymer modelling (Co-Guide for a student of Physics Department)
  8. Theoretical computation of dielectric constant of polymeric materials (Mentor)

OUR Projects (July 2018 – June 2021)

  1. Recovery of Benzoic Acid from Tolune-Benzoic Acid and Water-Benzoic Acid Mixtures
  2. Development of Novel Solvents for the Extractive Desulfurization of Refinery Streams
  3. Development of Bio-polymer Based Edible Films
  4. Screening of Organic Solvents using Molecular Modeling for the Separation of Thiophene from Iso-octane.
  5. Development of Edible Films for Food Packaging using 3D printing technology for Human Space Flight Missions (Co-Supervisor)
Conferences (Select): 

Journal Publications:

  1. Yamini Sudha Sistla*, Shumyla Mehraj, Molecular Simulations to Understand the Moisture, Carbon Dioxide and Oxygen Barrier Properties of Pectin Films, Journal of Molecular Modeling, 2022 (Accepted). (Impact Factor: 1.81)
  2. Shumyla Mehraj, Yamini Sudha Sistla, Optimization of Process Conditions for the Development of Pectin and Glycerol based Edible Films: Statistical Design of Experiments, Electronic Journal of Biotechnology, 55 (2022) 27-39. (Impact Factor: 2.80)
  3. Yamini Sudha Sistla*, & Vignesh Sridhar, Molecular understanding of carbon dioxide interactions with ionic liquids, Journal of Molecular Liquids, 325 (2021) 115162. (Impact Factor: 6.16) (Citations: 2)
  4. D. Shantana Lakshmi, Y.S.Sistla, A.Khanna, A. Figoli, Ionic Liquid Loaded Polyether Sulfone Microspheres for CO2 Separation, Adsorption, 26 (2020) 737-747. (Impact Factor: 2.41) (Citations: 2)
  5. Yamini Sudha. S & Ashok Khanna, CO2 absorption studies in amino acid-anion based ionic liquids, Chemical Engineering Journal, 273 (2015) 268–276. (Impact Factor: 13.27) (Citations: 129)
  6. Yamini Sudha. S & Ashok Khanna, Carbon dioxide absorption studies using amine-functionalized ionic liquids, Journal of Industrial and Engineering Chemistry, 20 (2014) 2497–2509. (Impact Factor: 6.06) (Citations: 57)
  7. Yamini Sudha. S, Lucky Jain &  Ashok Khanna, Validation and prediction of solubility parameters of ionic liquids for CO2 Capture, Separation and Purification Technology, 97(2012) 51-64. (Impact Factor: 7.31) (Citations: 58)
  8. Yamini Sudha.S & Ashok Khanna, Validation and prediction of temperature dependent Henry’s constant of CO2-Ionic liquid systems using COSMO-RS, Journal of Chemical and Engineering Data, 56(11) (2011) 4045-4060. (Impact Factor: 2.69) (Citations: 46)
  9. Smita Dixit, Ashok Khanna, Yamini Sudha.S, S.Mukhopadhyay & P.K.Bhattacharya, Modeling and prediction of removal of metal ions from aqueous solution through facilitated transport, International journal of Environmental Engineering, 2 (2010) 73-91. (Citations: 2)
  10. S. Yamini Sudha and Ashok Khanna, Evaluating the Interactions of CO2-Ionic Liquid Systems Through Molecular Modeling, International Journal of Chemical and Molecular Engineering, 3 (9), (2009). (Citations: 16)
  11. Ashok Khanna, Yamini Sudha.S, Sandeep Pillai & Swagat S. Rath, Molecular Modeling Studies of Poly Lactic Acid Initiation Mechanisms, Journal of Molecular Modeling, 14 (2008) 367-374. (Impact Factor: 1.81) (Citations: 38)

International Conferences:

  1. Smrithy Subash, Sumedha Moharana and Yamini Sudha Sistla, Molecular dynamic simulation of corrosion inhibitors and it's efficacy towards reinforced concrete structure, CORCON 2021 (Oral Presentation).
  2. Yamini Sudha Sistla*, “Molecular simulations for rational selection of solvents for efficient CO2 capture, International Conference”, Global Conference on Climate Change, September 16-18, 2021, London, UK (Oral Presentation).
  3. Jai Singh and Yamini Sudha Sistla*, “Screening of Organic Solvents for Separation of Thiophene and Iso-octane: Density Functional Theory and Molecular Dynamic Simulations”, International Conference on Chemical, Bio & Environmental Engineering (CHEMBIOEN 2021), NIT Jalandhar, India (Oral Presenatation).
  4. Shanthana Lakshmi, Yamini Sudha, Alberto Figoli, Ashok Khanna, "Permeation studies of CO2 through ionic liquid loaded polymer microspheres (membrane)", 6th MEMTEK International Symposium on Membrane Technologies and Applications (MEMTEK 2019)", 18-20 November 2019, Istanbul, Turkey (accepted for poster presentation).
  5. Yamini Sistla and Vighnesh Sridhar, "Rational Development of Ionic Liquids for Enhanced Carbon Dioxide Capture through First Principles Calculations", 4th International Conference on Ionic Liquids in Separation and Purification Technology Conference (ILSEPT), 8-11 September 2019, Sitges, Spain (accepted for poster presentation).
  6. Yamini Sudha. S, Lucky Jain and Ashok Khanna, “Validation and Prediction of Solubility Parameters of Ionic Liquids for CO2 Capture”, 1st International Conference on Ionic Liquids in Separation and Purification Technology, Sitges, Spain, 2011. (Oral Presentation).
  7. Yamini Sudha.S and Ashok Khanna, “Validation and prediction of temperature dependent Henry’s constant of CO2- ionic liquid systems using COSMO-RS”, 4th Congress on ionic liquids, Washington DC, USA, 2011. (Accepted for Poster presenation).
  8. Yamini Sudha.S and Ashok Khanna, “Evaluating the interactions of CO2- ionic liquid systems through molecular modeling” International Conference on Chemical Engineering, Amsterdam, The Netherlands, 2009. (Oral Presenation).
  9. Yamini S. Sistla, S Kumar, V. Katiyar, Ashok Khanna, “HDPE- polymerization using synthesized metallocenes and co-catalysts”, International Conference on Chemical Engineering, BUET, Dhaka, Bangladesh, 2003. (Oral Presenation).

National Conferences:

  1. Yamini Sudha.S and Ashok Khanna, “Carbon Dioxide Absorption Studies in Ionic Liquids”, CHEMCON 2011, Bangalore, 2011.
  2. Yamini Sudha. S, Lucky Jain and Ashok Khanna, “Solubility Studies of CO2 in Ionic Liquids using COSMO-RS and Molecular Dynamics”, Poster presented at REACH Symposium, IIT Kanpur, 2010.
  3. Yogendra Kumar, Yamini Sudha. S, Ashok Khanna, “Permeation Studies of CO2 through Supported Ionic Liquid Membrane”, Chemference, IIT Kanpur, 2010.
  4. Yamini Sudha.S, Vedant, A. Khanna, “Phase Equilibrium Studies of CO2 systems using PC-SAFT model”, presented at IIChE conference, CSJM Kanpur University, Kanpur, 2009.
  5. Yamini Sudha.S and Ashok Khanna, Assessing the interactions of CO2-Ionic Liquid Systems through Molecular Modeling, G.H.Patel College of Engineering and Technology, Vallabh Vidyanagar, Gujarat, NCCS09, 2009.
  6. Yamini Sudha.S, “Heat recovery and cleaning of chimney gases” CLAIRVOYANCE2K2 at Thirumalai Engineering College, Kanchipuram, 2002.
  7. Yamini Sudha.S “Mass transfer coefficients in sponge oil absorption column” for CHEMFLUENCE2K1 at Anna University, Chennai, 2001.
  8. Yamini Sudha.S, “Global Trends and Developments in coal industry in India” for CHEMPACT2K at Arulmigu Minakshi Amman College of Engineering, Kanchipuram, 2000.

Scholarly Activity