Publications

Kapadiya, Prasil, Jhumpa Adhikari, Manoj Kumar, and Alok Satlewal. "Prediction of high temperature hydrodeoxygenation reaction equilibria of phenol to benzene via reaction ensemble Monte Carlo simulations." Molecular Simulation (2026): 1–9. DOI: https://doi.org/10.1080/08927022.2026.2686784

Kapadiya, Prasil, and Jhumpa Adhikari. "Prediction of Henry’s law constants for CO2 and CH4 in levulinic acid via different Monte Carlo approaches." Physical Chemistry Chemical Physics 27 (2025): 24734 – 24746. DOI: https://doi.org/10.1039/D5CP02630J [Part of the themed collections: Structure and dynamics of chemical systems: Honouring N. Sathyamurthy’s 75th birthday & Celebrating International Women’s day 2026: Women in physical chemistry]

Kapadiya, Prasil, and Jhumpa Adhikari. "Solvent Extraction of Levulinic Acid from Its Aqueous Solution: A Monte Carlo Simulation Study." ACS Engineering Au 5 (2025): 400-415. DOI: https://pubs.acs.org/doi/10.1021/acsengineeringau.5c00017

Kapadiya, Prasil, and Jhumpa Adhikari. "Prediction of thermodynamic properties of m-cresol: Comparison of TraPPE-UA and OPLS-AA force fields." Journal of Molecular Liquids 425 (2025): 127211. DOI: https://doi.org/10.1016/j.molliq.2025.127211

Mondal, Biswarup, Prasil Kapadiya, and Amiya K. Jana. "A zero discharge, carbon-neutral bi-fuel production process for algal biodiesel and renewable hydrogen." Journal of Cleaner Production 425 (2023): 138865. DOI: https://doi.org/10.1016/j.jclepro.2023.138865

Prasil Kapadiya and Jhumpa Adhikari. “Solvent Extraction of Levulinic Acid from Its Aqueous Solution via Monte Carlo Simulations "| 23rd European Conference on Thermophysical Properties (ECTP 2026), Gouvieux - Paris area | Oral presentation (June 21-24, 2026)

Prasil Kapadiya and Jhumpa Adhikari. "Prediction of Henry’s law constants for CO2 and CH4 in levulinic acid via different Monte Carlo approaches"| 23rd European Conference on Thermophysical Properties (ECTP 2026), Gouvieux - Paris area | Poster presentation (June 21-24, 2026)

Prasil Kapadiya and Jhumpa Adhikari. "Prediction of thermodynamic properties of m-cresol: Comparison of TraPPE-UA and OPLS-AA force fields"| 23rd European Conference on Thermophysical Properties (ECTP 2026), Gouvieux - Paris area | Poster presentation (June 21-24, 2026)

Prasil Kapadiya and Jhumpa Adhikari. “Identification of optimal solvent for levulinic acid extraction and solvent recycle via Monte Carlo Simulations"| Prasil Kapadiya and Jhumpa Adhikari. "Solvent Extraction of Levulinic Acid from Its Aqueous Solution via Monte Carlo Simulations"| (ASREEM 2.0), SVNIT Surat | Oral presentation (May 15-17, 2026)

Prasil Kapadiya and Jhumpa Adhikari. "Solvent Extraction of Levulinic Acid from Its Aqueous Solution via Monte Carlo Simulations"| Green Chemistry and Engineering towards Sustainable Development – An Industrial Perspective (GCESDIP 2.0), SVNIT Surat | Oral presentation (April 17-18, 2026)

Prasil Kapadiya and Jhumpa Adhikari. "Prediction of Henry’s law constants for CO2 and CH4 in levulinic acid via different Monte Carlo approaches"| Green Chemistry and Engineering towards Sustainable Development – An Industrial Perspective (GCESDIP 2.0),  SVNIT Surat | Oral presentation (April 17-18, 2026)

Prasil Kapadiya and Jhumpa Adhikari. "Prediction of Henry’s law constants for CO2 and CH4 in levulinic acid via different Monte Carlo approaches"| Chemical Engineering Conclave 2026, Department of Chemical Engineering, IIT Bombay | Poster presentation (February 27, 2026)

Prasil Kapadiya and Jhumpa Adhikari. "Thermodynamics of Hydrodeoxygenation of phenol to benzene: A Monte Carlo simulation study"| Theoretical Chemistry Symposium 2025, Department of Chemistry, IIT Bombay | Poster presentation (December 2-5, 2025)

Prasil Kapadiya and Jhumpa Adhikari. "Solvent Extraction of Levulinic Acid from Its Aqueous Solution: A Monte Carlo Simulation Study"| Research Scholar Symposium 2025, Department of Chemical Engineering, IIT Bombay | Oral presentation (July 11, 2025)

Prasil Kapadiya and Jhumpa Adhikari. "Prediction of thermodynamic properties of m-cresol: Comparison of TraPPE-UA and OPLS-AA force fields"| Research Scholar Symposium 2025, Department of Chemical Engineering, IIT Bombay | Poster presentation (July 11, 2025)

Prasil Kapadiya and Jhumpa Adhikari. "Solvent Extraction of Levulinic Acid from Its Aqueous Solution: A Monte Carlo Simulation Study"| National Seminar on Computational Science and Prof Shridhar R Gadre’s 75th Birthday Festschrift Symposium, Somaiya Vidyavihar University, Vidyavihar, Mumbai | Poster presentation (June 9-10, 2025)

Prasil Kapadiya and Jhumpa Adhikari. "Solvent Extraction of Levulinic Acid from Its Aqueous Solution: A Monte Carlo Simulation Study"| International Conference on Sustainable Technologies in Energy and Environmental Management (STEEM 2025), Sardar Vallabhbhai National Institute of Technology, Surat | Oral presentation (June 6-7, 2025)

Prasil Kapadiya and Jhumpa Adhikari. "Prediction of vapour-liquid coexistence of m-cresol: Comparison of TraPPE-UA & OPLS-AA force field"| DAE-SAACM-2024 symposium (DAE-BRNS Symposium on Advances in Atomistic and Continuum Modeling), Bhabha Atomic Research Centre (BARC), Mumbai | Poster presentation (October 23-26, 2024)

Prasil Kapadiya and Jhumpa Adhikari. "Vapour-Liquid Coexistence study for m-Cresol using Monte Carlo Simulations: A Comparison of Classical Force-Fields"| Outreach Symposium on Molecular Simulations: Advances and Applications, IIT Bombay | Poster presentation (June 2-3, 2023)