Data-Driven Ionic Liquid Design for CO2 Capture: Molecular Structure Optimization and DFT Verification

Comparative Economic Analysis of Physical, Chemical, and Hybrid Absorption Processes for Carbon Capture

(2020) Xiang Zhang et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Optimization-based approach for CO2 utilization in carbon capture, utilization and storage supply chain

(2020) Shuai Zhang et al.   COMPUTERS & CHEMICAL ENGINEERING

Optimization‐based cosmetic formulation: Integration of mechanistic model, surrogate model, and heuristics

(2020) Xiang Zhang et al.   AICHE JOURNAL

Prediction of CO2 solubility in ionic liquids using machine learning methods

(2020) Zhen Song et al.   CHEMICAL ENGINEERING SCIENCE

Deep learning and knowledge-based methods for computer-aided molecular design—toward a unified approach: State-of-the-art and future directions

(2020) Abdulelah S. Alshehri et al.   COMPUTERS & CHEMICAL ENGINEERING

Construction of a Valid Domain for a Hybrid Model and Its Application to Dynamic Optimization with Controlled Exploration

(2020) Jaehan Bae et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Thermodynamic modeling and rational design of ionic liquids for pre-combustion carbon capture

(2020) Teng Zhou et al.   CHEMICAL ENGINEERING SCIENCE

A Review of Process Systems Engineering (PSE) Tools for the Design of Ionic Liquids and Integrated Biorefineries

(2020) Nishanth G. Chemmangattuvalappil et al.   Processes

Machine learning enables polymer cloud-point engineering via inverse design

(2019) Jatin N. Kumar et al.   npj Computational Materials

Managing Uncertainty in Data-Driven Simulation-Based Optimization

(2019) Gordon Hüllen et al.   COMPUTERS & CHEMICAL ENGINEERING

Extending the UNIFAC model for ionic liquid–solute systems by combining experimental and computational databases

(2019) Zhen Song et al.   AICHE JOURNAL

Structure optimization of tailored ionic liquids and process simulation for shale gas separation

(2019) Xinyan Liu et al.   AICHE JOURNAL

Computer-aided design of ionic liquids for hybrid process schemes

(2019) Yuqiu Chen et al.   COMPUTERS & CHEMICAL ENGINEERING

Data-driven Wasserstein distributionally robust optimization for biomass with agricultural waste-to-energy network design under uncertainty

(2019) Chao Ning et al.   APPLIED ENERGY

Computer-aided Design of Ionic Liquids as Absorbent for Gas Separation Exemplified by CO2 Capture Cases

(2018) Jingwen Wang et al.   ACS Sustainable Chemistry & Engineering

Application of COSMO-RS and UNIFAC for ionic liquids based gas separation

(2018) Xinyan Liu et al.   CHEMICAL ENGINEERING SCIENCE

Demonstrating the key role of kinetics over thermodynamics in the selection of ionic liquids for CO2 physical absorption

(2018) J. Palomar et al.   SEPARATION AND PURIFICATION TECHNOLOGY

Ionic liquids for post-combustion CO 2 capture by physical absorption: Thermodynamic, kinetic and process analysis

(2017) Juan de Riva et al.   International Journal of Greenhouse Gas Control

An optimization approach for CO 2 capture using ionic liquids

(2017) Darinel Valencia-Marquez et al.   JOURNAL OF CLEANER PRODUCTION

Design of Ionic Liquid as Carbon Capture Solvent for a Bioenergy System: Integration of Bioenergy and Carbon Capture Systems

(2017) Fah Keen Chong et al.   ACS Sustainable Chemistry & Engineering

Designing and Screening of Multi-Amino-Functionalized Ionic Liquid Solution for CO2 Capture by Quantum Chemical Simulation

(2017) Guohua Jing et al.   ACS Sustainable Chemistry & Engineering

Data-driven mathematical modeling and global optimization framework for entire petrochemical planning operations

(2016) Jie Li et al.   AICHE JOURNAL

Computer-aided molecular design: An introduction and review of tools, applications, and solution techniques

(2016) Nick D. Austin et al.   CHEMICAL ENGINEERING RESEARCH & DESIGN

Prediction of viscosity of imidazolium-based ionic liquids using MLR and SVM algorithms

(2016) Yongsheng Zhao et al.   COMPUTERS & CHEMICAL ENGINEERING

Generic mathematical programming formulation and solution for computer-aided molecular design

(2015) Lei Zhang et al.   COMPUTERS & CHEMICAL ENGINEERING

Computer-aided molecular design in the continuous-molecular targeting framework using group-contribution PC-SAFT

(2015) Matthias Lampe et al.   COMPUTERS & CHEMICAL ENGINEERING

Viscosity of Ionic Liquids: An Extensive Database and a New Group Contribution Model Based on a Feed-Forward Artificial Neural Network

(2014) Kamil Paduszyński et al.   Journal of Chemical Information and Modeling

UNIFAC model for ionic liquid-CO2systems

(2013) Zhigang Lei et al.   AICHE JOURNAL

Computer-aided design of tailor-made ionic liquids

(2013) Arunprakash T. Karunanithi et al.   AICHE JOURNAL

Gas Solubility in Ionic Liquids

(2013) Zhigang Lei et al.   CHEMICAL REVIEWS

A new fragment contribution-corresponding states method for physicochemical properties prediction of ionic liquids

(2012) Ying Huang et al.   AICHE JOURNAL

Carbon capture with ionic liquids: overview and progress

(2012) Xiangping Zhang et al.   Energy & Environmental Science

Extension of the UNIFAC Model for Ionic Liquids

(2012) Zhigang Lei et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

A group contribution method to predict the melting point of ionic liquids

(2011) Juan A. Lazzús   FLUID PHASE EQUILIBRIA

Optimal Molecular Design of Ionic Liquids for High-Purity Bioethanol Production

(2011) Luz Maria Chávez-Islas et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

A New Group Contribution Method For Prediction of Density of Pure Ionic Liquids over a Wide Range of Temperature and Pressure

(2011) Kamil Paduszyński et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Heat Capacity of Ionic Liquids: Experimental Determination and Correlations with Molar Volume

(2010) Yauheni U. Paulechka et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Screening of ionic liquids to capture CO2by COSMO-RS and experiments

(2008) Xiaochun Zhang et al.   AICHE JOURNAL