Search Results - "Chemmangattuvalappil, Nishanth"
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Development of solvent design methodologies using computer-aided molecular design tools
Published in Current opinion in chemical engineering (01-03-2020)“…This paper presents an overview of the recent developments in the area of solvent design using computer-aided molecular design (CAMD) tools. Effective CAMD…”
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Challenges and opportunities in computer-aided molecular design
Published in Computers & chemical engineering (04-10-2015)“…•Overview of property prediction models.•A comprehensive review of computer aided molecular design tools.•Challenges and opportunities in computer aided…”
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Review of hydrogen economy in Malaysia and its way forward
Published in International journal of hydrogen energy (01-03-2019)“…Heavy fossil fuels consumption has raised concerns over the energy security and climate change while hydrogen is regarded as the fuel of future to decarbonize…”
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Prediction model for biochar energy potential based on biomass properties and pyrolysis conditions derived from rough set machine learning
Published in Environmental technology (02-07-2024)“…Biochar is a high-carbon-content organic compound that has potential applications in the field of energy storage and conversion. It can be produced from a…”
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A Novel Methodology for Property-Based Molecular Design Using Multiple Topological Indices
Published in Industrial & engineering chemistry research (05-06-2013)“…In this work, we are introducing an algorithm that can be used for solving molecular design problems of reactive systems on a property-based platform. The…”
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Design and performance optimisation of detergent product containing binary mixture of anionic-nonionic surfactants
Published in Heliyon (01-05-2020)“…The manufacture of detergent products such as laundry detergents, household cleaners and fabric softeners are of increasing interest to the consumer oriented…”
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Optimal molecular design towards an environmental friendly solvent recovery process
Published in Computers & chemical engineering (02-09-2018)“…•Novel methodology for solvent design.•Quantification of environmental effects of solvents during process.•Trade-off between target properties.•Application…”
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Optimization of quality, safety and health aspects in personal care product preservative design
Published in Process safety and environmental protection (01-01-2022)“…Personal care products (PCPs) are structured products that are constituted by numerous chemicals ingredients. However, there are several hazardous ingredients…”
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Integration of Fuzzy Analytic Hierarchy Process into multi-objective Computer Aided Molecular Design
Published in Computers & chemical engineering (04-01-2018)“…•Novel methodology for multiobjective molecular design.•Integrate Fuzzy Analytic Hierarchy Process in molecular design.•Consideration of different classes of…”
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A Systematic Molecular Design Framework with the Consideration of Competing Solvent Recovery Processes
Published in Industrial & engineering chemistry research (24-07-2019)“…This Article presents a Computer Aided Molecular Design (CAMD) framework that considers both the solute extraction and the solvent recovery steps…”
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Multi-Criteria Decision-Making Tools for Project Selection by International Conglomerates
Published in Process integration and optimization for sustainability (01-05-2024)“…International conglomerates often take financial risks by investing funds in potential projects without conducting comprehensive assessments of the…”
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Safety and health risk assessment methodology of dermal and inhalation exposure to formulated products ingredients
Published in Regulatory toxicology and pharmacology (01-10-2020)“…Consumers are commonly exposed to numerous chemical ingredients found in various formulated products especially household and personal care products…”
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Integration of safety and health aspects in a simultaneous process and molecular design framework
Published in Chemical engineering research & design (01-01-2020)“…[Display omitted] •CAMPD tools are applied to design molecules and process with optimal performance.•Inherent safety and occupational health design are…”
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Estimation of fast pyrolysis bio‐oil properties from feedstock characteristics using rough‐set‐based machine learning
Published in International journal of energy research (25-10-2022)“…Summary In this work, a data‐driven rough‐set‐based machine learning model has been proposed as a pre‐processing and predictive modelling tool to predict the…”
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Incorporation of Safety and Health Properties in Formulation of Fragrance Product
Published in Process integration and optimization for sustainability (01-05-2024)“…Nowadays, fragrance molecules have become a focal point in formulated products, aimed at attracting customers. However, there have been notable clinical cases…”
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Novel Methodology for the Synthesis of Optimal Biochemicals in Integrated Biorefineries via Inverse Design Techniques
Published in Industrial & engineering chemistry research (03-06-2015)“…The recent developments of process synthesis and design for integrated biorefineries have significantly increased the potential of biomass to generate…”
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A systematic methodology for optimal mixture design in an integrated biorefinery
Published in Computers & chemical engineering (04-10-2015)“…•Novel methodology to integrate product design in the design of biorefineries.•A combination of single component molecular design and mixture design.•Fuzzy…”
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Design of bio-oil additives via molecular signature descriptors using a multi-stage computer-aided molecular design framework
Published in Frontiers of chemical science and engineering (01-02-2022)“…Direct application of bio-oil from fast pyrolysis as a fuel has remained a challenge due to its undesirable attributes such as low heating value, high…”
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Synthesis of sustainable integrated biorefinery via reaction pathway synthesis: Economic, incremental enviromental burden and energy assessment with multiobjective optimization
Published in AIChE journal (01-01-2015)“…With the increasing attention toward sustainable development, biomass has been identified as one of the most promising sources of renewable energy. To convert…”
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A systematic visual methodology to design ionic liquids and ionic liquid mixtures: Green solvent alternative for carbon capture
Published in Computers & chemical engineering (04-08-2016)“…•Novel methodology to design ionic liquids using a visual approach.•A methodology to design ionic liquid mixtures that meet property targets.•A methodology to…”
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