Computer-aided molecular design of ionic liquids as advanced process media: a review from fundamentals to applications

Z Song, J Chen, J Cheng, G Chen, Z Qi - Chemical Reviews, 2023 - ACS Publications
The unique physicochemical properties, flexible structural tunability, and giant chemical
space of ionic liquids (ILs) provide them a great opportunity to match different target …

Predictive molecular thermodynamic models for ionic liquids

G Yu, Z Wei, K Chen, R Guo, Z Lei - AIChE Journal, 2022 - Wiley Online Library
Predictive molecular thermodynamic models can bridge the gap between the microscopic
molecular level and macroscopic system scale. Over the past few decades, ionic liquids …

Amphiphilic heteropolyacid-based sulfonic acid-functionalised ionic liquids as efficient catalysts for biodiesel production

M Li, P Lu, C Ye, J Chen, T Qiu - Fuel, 2023 - Elsevier
Aiming to address the mass transfer limitation in biphasic transesterification reactions for
biodiesel production, as well as the poor affinity between conventional catalysts and …

Hydrogen bond induced acidic solids for effective esterification catalysis

K Xiao, Z Zhou, C Ye, J Chen, T Qiu - Chemical Engineering Journal, 2023 - Elsevier
Abstract The use of Fischer-Speier esterification reaction produced biodiesel as a substitute
for fossil fuels has potential to alleviate the climate and energy crisis. However, catalysts for …

Selection of deep eutectic solvents for extractive deterpenation of lemon essential oil

Z Qin, H Cheng, Z Song, L Ji, L Chen, Z Qi - Journal of Molecular Liquids, 2022 - Elsevier
Lemon essential oil is a complex mixture with citral as the primary terpenoid and limonene
as the main terpene. Isolation of terpene and terpenoid, known as deterpenation, is crucial …

Efficient Separation of Methyl tert-Butyl Ether Using Ionic Liquids from Computational Thermodynamics to Process Intensification

Y Zhang, Z Su, K Xue, J Xing, D Fan, J Qi… - Industrial & …, 2022 - ACS Publications
Ionic liquids (ILs) have been proposed as promising green solvents for the separation of
azeotropes. In this work, the efficient separation of methyl tert-butyl ether (MTBE) from …

Toward reactive extraction processes for synthesizing long-chain esters: A general approach by tuning bifunctional deep eutectic solvent

R Wang, H Qin, Z Song, H Cheng, L Chen… - Chemical Engineering …, 2022 - Elsevier
The synthesis of long-chain esters in reactive extraction using bifunctional deep eutectic
solvent (DES) demands a wide solvent selection range and optimal solvent choice. In this …

[HTML][HTML] Sustainability of biorefineries: Challenges and perspectives

JC Solarte-Toro, CA Cardona Alzate - Energies, 2023 - mdpi.com
Biorefineries have been defined as complex systems where biomass is integrally processed
to obtain value-added products and energy vectors, involving recent research advances …

Prediction of infinite‐dilution activity coefficients with neural collaborative filtering

T Tan, H Cheng, G Chen, Z Song, Z Qi - AIChE Journal, 2022 - Wiley Online Library
Accurate prediction of infinite dilution activity coefficient (γ∞) for phase equilibria and
process design is crucial. In this work, an experimental γ∞ dataset containing 295 solutes …

Mechanism analysis of liquid-liquid extraction separation for dimethyl carbonate and methanol by choline-based DESs as extractants

K Yin, Y Shen, Y Jiao, M Zhou, X Wang, Z Zhu… - Fluid Phase …, 2023 - Elsevier
Dimethyl carbonate (DMC) is a widely used chemical raw material and chemical product
with excellent performance. In this manuscript, based on electrostatic potential (ESP) …