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Challenges and opportunities in carbon capture, utilization and storage: A process systems engineering perspective
Carbon capture, utilization, and storage (CCUS) is a promising pathway to decarbonize
fossil-based power and industrial sectors and is a bridging technology for a sustainable …
fossil-based power and industrial sectors and is a bridging technology for a sustainable …
[HTML][HTML] Quantum computing for chemical and biomolecular product design
Highlights•Quantum computing and its use for computer-aided product design is discussed
and perspectives for several types of problems are provided.•Hybrid QC methods are likely …
and perspectives for several types of problems are provided.•Hybrid QC methods are likely …
A systematic review on intensifications of artificial intelligence assisted green solvent development
H Wen, S Nan, D Wu, Q Sun, Y Tong… - Industrial & …, 2023 - ACS Publications
Solvents are indispensable components of chemical processes, and the application of
ecofriendly, safe, and efficient solvents is vital for building green chemical processes …
ecofriendly, safe, and efficient solvents is vital for building green chemical processes …
[HTML][HTML] Working fluid and system optimisation of organic Rankine cycles via computer-aided molecular design: A review
Organic Rankine cycle (ORC) systems are a class of distributed power-generation systems
that are suitable for the efficient conversion of low-to-medium temperature thermal energy to …
that are suitable for the efficient conversion of low-to-medium temperature thermal energy to …
Insights on the potential of natural deep eutectic solvents (NADES) to fine-tune durian seed gum for use as edible food coating
Approximately 75,000 tonnes of durian seeds are disposed to the environment every year
and the amount will continue to increase due to the escalating demand for durians. The long …
and the amount will continue to increase due to the escalating demand for durians. The long …
Computer-aided molecular design of solvents for chemical separation processes
Solvents are widely used in chemical industries, especially in various separation processes.
As traditional trial-and-error solvent selection is time-consuming and expensive, model …
As traditional trial-and-error solvent selection is time-consuming and expensive, model …
Green solvent screening using modeling and simulation
Solvents play a primary role in the chemical industry, with an increasing regulatory pressure
urging to find more benign replacements for conventional fossil-derived solvents. Efficient …
urging to find more benign replacements for conventional fossil-derived solvents. Efficient …
Purely predicting the pharmaceutical solubility: what to expect from PC-SAFT and COSMO-RS?
M Klajmon - Molecular Pharmaceutics, 2022 - ACS Publications
A pair of popular thermodynamic models for pharmaceutical applications, namely, the
perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state and the …
perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state and the …
Simulation screening of umami peptides in the microbiota of soy sauce based on molecular docking and molecular dynamics
Q Wu, C Xu, Y Tian, A Han, Y Liu - Food Bioscience, 2024 - Elsevier
Simulation screening and molecular simulation techniques are gradually being applied to
the study of bioactive peptides. In this study, we explored and simulated the screening …
the study of bioactive peptides. In this study, we explored and simulated the screening …
Multi-scale Computer-aided molecular design of Ionic liquid for absorption heat transformer based on Machine learning
Absorption cycles have attracted considerable attention for utilizing renewable energy and
waste heat to achieve carbon neutrality. Absorption Heat Transformers (AHTs) using Ionic …
waste heat to achieve carbon neutrality. Absorption Heat Transformers (AHTs) using Ionic …