Recent advances in theoretical development of thermal atomic layer deposition: a review
M Shahmohammadi, R Mukherjee, C Sukotjo… - Nanomaterials, 2022 - mdpi.com
Atomic layer deposition (ALD) is a vapor-phase deposition technique that has attracted
increasing attention from both experimentalists and theoreticians in the last few decades …
increasing attention from both experimentalists and theoreticians in the last few decades …
Simultaneous working fluids design and cycle optimization for Organic Rankine cycle using group contribution model
Abstract The performance of Organic Rankine Cycle (ORC) is significantly influenced by the
used working fluid and the operating condition. Consequently, this paper presents a …
used working fluid and the operating condition. Consequently, this paper presents a …
Multi-objective optimization of the TEG dehydration process for BTEX emission mitigation using machine-learning and metaheuristic algorithms
R Mukherjee, UM Diwekar - ACS Sustainable Chemistry & …, 2021 - ACS Publications
Natural gas processing involves the removal of acidic gases, followed by dehydration. The
dehydration process is primarily carried out through absorption in triethylene glycol (TEG) …
dehydration process is primarily carried out through absorption in triethylene glycol (TEG) …
Computer-aided polymer design: Integrating group contribution and molecular dynamics
Polymers are widely used to manufacture many chemical products. Often, polymers are
designed by trial-and-error, which is expensive and time-consuming. In this work, a new …
designed by trial-and-error, which is expensive and time-consuming. In this work, a new …
Mechanism study of Cd (II) ion adsorption onto resins with sulfonic/phosphonic groups using electronic structure methods
Y Zhang, S Elfeghe, Z Tang - Journal of Molecular Liquids, 2022 - Elsevier
Cadmium is a persistent bio-accumulative toxic metallic element causing hazardous impacts
on environment. Through adsorption tests, it was found that Dowex G-26 resin with sulfonic …
on environment. Through adsorption tests, it was found that Dowex G-26 resin with sulfonic …
Optimal design of novel precursor materials for the atomic layer deposition using computer-aided molecular design
M Shahmohammadi, R Mukherjee, CG Takoudis… - Chemical Engineering …, 2021 - Elsevier
Nanomaterials and nanostructures with multi-functional properties found widespread
applications such as electronics, optics, and coatings that can be fabricated using Atomic …
applications such as electronics, optics, and coatings that can be fabricated using Atomic …
A systematic molecular design framework with the consideration of competing solvent recovery processes
This Article presents a Computer Aided Molecular Design (CAMD) framework that considers
both the solute extraction and the solvent recovery steps simultaneously during the solvent …
both the solute extraction and the solvent recovery steps simultaneously during the solvent …
Application of adsorbate solid solution theory to design novel adsorbents for arsenic removal using CAMD
RK Doshi, R Mukherjee… - … Sustainable Chemistry & …, 2018 - ACS Publications
Arsenic is a carcinogenic contaminant that pollutes the groundwater, a consequence of poor
arsenic disposal. Various techniques are used to remove arsenic, such as oxidation …
arsenic disposal. Various techniques are used to remove arsenic, such as oxidation …
Selective removal of Cr (III) from aqueous solution using cross-linked polyethylenimine: experimental optimization and modeling
D Saad - Polymer Bulletin, 2022 - Springer
Batch removal of Cr (III) from aqueous solutions using cross-linked polyethylenimine was
investigated under different experimental conditions. The influence of different parameters …
investigated under different experimental conditions. The influence of different parameters …
Reliability-based robust multi-objective optimization (RBRMOO) of chemical process systems: a case study of TEG dehydration plant
R Mukherjee - Frontiers in Sustainability, 2022 - frontiersin.org
Natural gas (NG) production has significantly increased in the past decade as new
unconventional oil and gas wells are being discovered. NG as obtained from the wellhead …
unconventional oil and gas wells are being discovered. NG as obtained from the wellhead …