标题
Computer-aided molecular design of solvents for chemical separation processes
作者
关键词
-
出版物
Current Opinion in Chemical Engineering
Volume 35, Issue -, Pages 100732
出版商
Elsevier BV
发表日期
2021-09-13
DOI
10.1016/j.coche.2021.100732
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。- Neural recommender system for the activity coefficient prediction and UNIFAC model extension of ionic liquid‐solute systems
- (2021) Guzhong Chen et al. AICHE JOURNAL
- Integrated ionic liquid and rate‐based absorption process design for gas separation: Global optimization using hybrid models
- (2021) Xiang Zhang et al. AICHE JOURNAL
- Subaerial beach profiles classification: An unsupervised deep learning approach
- (2021) Amin Riazi et al. CONTINENTAL SHELF RESEARCH
- Data-Driven Ionic Liquid Design for CO2 Capture: Molecular Structure Optimization and DFT Verification
- (2021) Xiang Zhang et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- A study on semi-supervised learning in enhancing performance of AHU unseen fault detection with limited labeled data
- (2021) Cheng Fan et al. Sustainable Cities and Society
- Transformer-convolutional neural network for surface charge density profile prediction: Enabling high-throughput solvent screening with COSMO-SAC
- (2021) Guzhong Chen et al. CHEMICAL ENGINEERING SCIENCE
- Odor prediction and aroma mixture design using machine learning model and molecular surface charge density profiles
- (2021) Lei Zhang et al. CHEMICAL ENGINEERING SCIENCE
- Computer-aided molecular and processes design based on quantum chemistry: current status and future prospects
- (2020) Christoph Gertig et al. Current Opinion in Chemical Engineering
- A grand product design model for crystallization solvent design
- (2020) Shiyang Chai et al. COMPUTERS & CHEMICAL ENGINEERING
- An approach for simultaneous computer-aided molecular design with holistic sustainability assessment: Application to phase-change CO2 capture solvents
- (2020) Athanasios I. Papadopoulos et al. COMPUTERS & CHEMICAL ENGINEERING
- Computer-aided blended extractant design and screening for co-extracting phenolic, polycyclic aromatic hydrocarbons and nitrogen heterocyclic compounds pollutants from coal chemical wastewater
- (2020) Ran Xu et al. JOURNAL OF CLEANER PRODUCTION
- Systematic screening of deep eutectic solvents as sustainable separation media exemplified by the CO2 capture process
- (2020) Zhen Song et al. ACS Sustainable Chemistry & Engineering
- Robot-Based High-Throughput Screening of Antisolvents for Lead Halide Perovskites
- (2020) Ening Gu et al. Joule
- 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
- Multilevel screening of ionic liquid absorbents for simultaneous removal of CO2 and H2S from natural gas
- (2020) Jingwen Wang et al. SEPARATION AND PURIFICATION TECHNOLOGY
- A Versatile Modeling Framework for Integrated Chemical Product Design
- (2020) Shiyang Chai et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- OptCAMD: An Optimization-Based Framework and Tool for Molecular and Mixture Product Design
- (2019) Qilei Liu et al. COMPUTERS & CHEMICAL ENGINEERING
- Optimal Solvent Design for Extractive Distillation Processes: A Multiobjective Optimization-Based Hierarchical Framework
- (2019) Teng Zhou et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- CAMD for entrainer screening of extractive distillation process based on new thermodynamic criteria
- (2019) Stefano Cignitti et al. CHEMICAL ENGINEERING RESEARCH & DESIGN
- An Architecture of Deep Learning in QSPR Modeling for the Prediction of Critical Properties Using Molecular Signatures
- (2019) Yang Su et al. AICHE JOURNAL
- Computer-aided reaction solvent design based on transition state theory and COSMO-SAC
- (2019) Qilei Liu et al. CHEMICAL ENGINEERING SCIENCE
- Computer-aided design of optimal environmentally benign solvent-based adhesive products
- (2019) Suela Jonuzaj et al. COMPUTERS & CHEMICAL ENGINEERING
- Molecular design of solvents for CO2 capture using a group contribution EOS
- (2019) José Antonio Scilipoti et al. FLUID PHASE EQUILIBRIA
- Machine Learning Interatomic Potentials as Emerging Tools for Materials Science
- (2019) Volker L. Deringer et al. ADVANCED MATERIALS
- Computer-Aided Reaction Solvent Design Considering Inertness using Group Contribution-based Reaction Thermodynamic Model
- (2019) Qilei Liu et al. CHEMICAL ENGINEERING RESEARCH & DESIGN
- Developing non-linear rate constant QSPR using decision trees and multi-gene genetic programming
- (2019) Shounak Datta et al. COMPUTERS & CHEMICAL ENGINEERING
- Carbon Dioxide Solubility in Phosphonium-Based Deep Eutectic Solvents: An Experimental and Molecular Dynamics Study
- (2019) Jingwen Wang et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Computer-Aided Polymer Design: Integrating Group Contribution and Molecular Dynamics
- (2019) Xinyuan Liang et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Computer-aided solvent selection and design for efficient chemical processes
- (2019) Teng Zhou et al. Current Opinion in Chemical Engineering
- Development of solvent design methodologies using computer-aided molecular design tools
- (2019) Nishanth G Chemmangattuvalappil Current Opinion in Chemical Engineering
- Chemical product design – recent advances and perspectives
- (2019) Lei Zhang et al. Current Opinion in Chemical Engineering
- Modeling Amorphous Microporous Polymers for CO2 Capture and Separations
- (2018) Grit Kupgan et al. CHEMICAL REVIEWS
- A machine learning based computer-aided molecular design/screening methodology for fragrance molecules
- (2018) Lei Zhang et al. COMPUTERS & CHEMICAL ENGINEERING
- Computer aided chemical product design – ProCAPD and tailor-made blended products
- (2018) Sawitree Kalakul et al. COMPUTERS & CHEMICAL ENGINEERING
- Protein structure-based drug design: from docking to molecular dynamics
- (2018) Paweł Śledź et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- Design of energy efficient reactive solvents for post combustion CO 2 capture using computer aided approach
- (2018) Muhammad Zulhilmi Ahmad et al. JOURNAL OF CLEANER PRODUCTION
- Computer-aided design and process evaluation of ionic liquids for n -hexane-methylcyclopentane extractive distillation
- (2018) He Chao et al. SEPARATION AND PURIFICATION TECHNOLOGY
- 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
- A review of extractive distillation from an azeotropic phenomenon for dynamic control
- (2018) Yixin Ma et al. CHINESE JOURNAL OF CHEMICAL ENGINEERING
- Extractive distillation: Advances in conceptual design, solvent selection, and separation strategies
- (2018) Shirui Sun et al. CHINESE JOURNAL OF CHEMICAL ENGINEERING
- Entangled Conditional Adversarial Autoencoder for de Novo Drug Discovery
- (2018) Daniil Polykovskiy et al. MOLECULAR PHARMACEUTICS
- Computer-Aided Solvent Selection and Design for the Efficient Extraction of a Pharmaceutical Molecule
- (2018) Kaushik Nagaraj Shankar et al. CANADIAN JOURNAL OF CHEMICAL ENGINEERING
- Computer Aided Molecular Design for alternative sustainable solvent to extract oil from palm pressed fibre
- (2017) Sue Yee Khor et al. PROCESS SAFETY AND ENVIRONMENTAL PROTECTION
- Systematic Method for Screening Ionic Liquids as Extraction Solvents Exemplified by an Extractive Desulfurization Process
- (2017) Zhen Song et al. ACS Sustainable Chemistry & Engineering
- Optimal design of solvents for extractive reaction processes
- (2016) Teng Zhou et al. AICHE JOURNAL
- A systematic visual methodology to design ionic liquids and ionic liquid mixtures: Green solvent alternative for carbon capture
- (2016) Fah Keen Chong et al. COMPUTERS & CHEMICAL ENGINEERING
- Prediction of carbon dioxide solubility in ionic liquids using MLP and radial basis function (RBF) neural networks
- (2016) Afshin Tatar et al. Journal of the Taiwan Institute of Chemical Engineers
- Efficient ant colony optimization for computer aided molecular design: Case study solvent selection problem
- (2015) Berhane H. Gebreslassie et al. COMPUTERS & CHEMICAL ENGINEERING
- Design of an ionic liquid as a solvent for the extraction of a pharmaceutical intermediate
- (2015) Madakashira Harini et al. SEPARATION AND PURIFICATION TECHNOLOGY
- Selection of Imidazolium-Based Ionic Liquids for Vitamin E Extraction from Deodorizer Distillate
- (2015) Lei Qin et al. ACS Sustainable Chemistry & Engineering
- Integrated solvent and process design exemplified for a Diels-Alder reaction
- (2014) Teng Zhou et al. AICHE JOURNAL
- Reprint of: Simulation based ionic liquid screening for benzene–cyclohexane extractive separation
- (2014) Zhaoxian Lyu et al. CHEMICAL ENGINEERING SCIENCE
- Selection of Solvents with A-UNIFAC Applied to Detoxification of Aqueous Solutions
- (2014) José A. Scilipoti et al. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
- Model-based method for the screening of solvents for chemical reactions
- (2013) Teng Zhou et al. CHEMICAL ENGINEERING SCIENCE
- Computer-aided biocompatible solvent design for an integrated extractive fermentation–separation process
- (2010) Hou-Chieh Cheng et al. CHEMICAL ENGINEERING JOURNAL
- Design of ionic liquids via computational molecular design
- (2010) Samantha E. McLeese et al. COMPUTERS & CHEMICAL ENGINEERING
- Design of extractive distillation for the separation of close-boiling mixtures: Solvent selection and column optimization
- (2010) Pimporn Lek-utaiwan et al. COMPUTERS & CHEMICAL ENGINEERING
- Distribution system reconfiguration using a modified Tabu Search algorithm
- (2010) A.Y. Abdelaziz et al. ELECTRIC POWER SYSTEMS RESEARCH
- Solvent design for crystallization of carboxylic acids
- (2008) Arunprakash T. Karunanithi et al. COMPUTERS & CHEMICAL ENGINEERING
- Present status and potential of group contribution methods for process development
- (2008) Jürgen Gmehling JOURNAL OF CHEMICAL THERMODYNAMICS
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now