[HTML][HTML] Computer-aided solvent selection and design for efficient chemical processes
The chemical industry makes extensive use of solvents, especially for chemical reactions
and separations. When considering the large number of existing solvents and the necessity …
and separations. When considering the large number of existing solvents and the necessity …
The effect of disinfectants and antiseptics on co-and cross-selection of resistance to antibiotics in aquatic environments and wastewater treatment plants
D Basiry, N Entezari Heravi, C Uluseker… - Frontiers in …, 2022 - frontiersin.org
The outbreak of the SARS-CoV-2 pandemic led to increased use of disinfectants and
antiseptics (DAs), resulting in higher concentrations of these compounds in wastewaters …
antiseptics (DAs), resulting in higher concentrations of these compounds in wastewaters …
Design and multi-objective optimization of hybrid reactive-extractive distillation process for separating wastewater containing benzene and isopropanol
J Yan, J Liu, J Ren, Y Wu, X Li, T Sun, L Sun - Separation and Purification …, 2022 - Elsevier
The recycling of wastewater in chemical industry is of great significance because it can
recover valuable organic solvents and prevent environmental pollution. In this work …
recover valuable organic solvents and prevent environmental pollution. In this work …
Energy-efficient recovery of tetrahydrofuran and ethyl acetate by triple-column extractive distillation: entrainer design and process optimization
An energy-efficient triple-column extractive distillation process is developed for recovering
tetrahydrofuran and ethyl acetate from industrial effluent. The process development follows a …
tetrahydrofuran and ethyl acetate from industrial effluent. The process development follows a …
Thermodynamic modeling and rational design of ionic liquids for pre-combustion carbon capture
T Zhou, H Shi, X Ding, Y Zhou - Chemical Engineering Science, 2021 - Elsevier
Although ionic liquids (ILs) have been widely explored as promising solvents for carbon
capture, systematic study on the rational selection and design of ILs for carbon capture …
capture, systematic study on the rational selection and design of ILs for carbon capture …
Systematic Screening of Deep Eutectic Solvents as Sustainable Separation Media Exemplified by the CO2 Capture Process
Although deep eutectic solvents (DESs) have attracted significant interest in various
separation processes, rational methods guiding task-specific DES selection are still scarce …
separation processes, rational methods guiding task-specific DES selection are still scarce …
Separation process synthesis for high-gwp refrigerant mixtures: Extractive distillation using ionic liquids
Due to high global warming potential (GWP) of hydrofluorocarbons (HFCs), the separation
and recovery of HFCs from different refrigerant mixtures is an important issue. Most HFC …
and recovery of HFCs from different refrigerant mixtures is an important issue. Most HFC …
Multi-objective optimization strategy for green solvent design via a deep generative model learned from pre-set molecule pairs
Green solvent design is usually a multi-objective optimization problem that requires
identification of a set of solvent molecules to balance multiple, often trade-off, properties. At …
identification of a set of solvent molecules to balance multiple, often trade-off, properties. At …
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 …
A deep learning-based framework towards inverse green solvent design for extractive distillation with multi-index constraints
Abstracts Despite the popularity and efficiency of group contribution methods in computer-
aided molecular design applications, their accuracy is sometimes limited due to the inability …
aided molecular design applications, their accuracy is sometimes limited due to the inability …