Data-Driven Ionic Liquid Design for CO2 Capture: Molecular Structure Optimization and DFT Verification
出版年份 2021 全文链接
标题
Data-Driven Ionic Liquid Design for CO2 Capture: Molecular Structure Optimization and DFT Verification
作者
关键词
-
出版物
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
Volume 60, Issue 27, Pages 9992-10000
出版商
American Chemical Society (ACS)
发表日期
2021-07-01
DOI
10.1021/acs.iecr.1c01384
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- 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
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchCreate your own webinar
Interested in hosting your own webinar? Check the schedule and propose your idea to the Peeref Content Team.
Create Now