[HTML][HTML] Predicting melting point of ionic liquids using QSPR approach: Literature review and new models
K Paduszyński, K Kłębowski, M Królikowska - Journal of Molecular Liquids, 2021 - Elsevier
Quantitative structure–property relationships (QSPRs) for predicting melting point
temperature (T m) of ionic liquids (ILs) are reviewed and the new models are proposed by …
temperature (T m) of ionic liquids (ILs) are reviewed and the new models are proposed by …
A review on created QSPR models for predicting ionic liquids properties and their reliability from chemometric point of view
B Sepehri - Journal of Molecular Liquids, 2020 - Elsevier
Ionic liquids (ILs) are chemicals that have attracted the attention of scientists and engineers
because of their various applications in industry. It is important to predict the value of their …
because of their various applications in industry. It is important to predict the value of their …
[HTML][HTML] Machine learning-based ionic liquids design and process simulation for CO2 separation from flue gas
K Wang, H Xu, C Yang, T Qiu - Green Energy & Environment, 2021 - Elsevier
Rational design of ionic liquids (ILs), which is highly dependent on the accuracy of the
model used, has always been crucial for CO 2 separation from flue gas. In this study, a …
model used, has always been crucial for CO 2 separation from flue gas. In this study, a …
Predicting ionic liquid melting points using machine learning
The melting point (T m) of an ionic liquid (IL) is of crucial importance in many applications.
The T m can vary considerably depending on the choice of the anion and cation. This study …
The T m can vary considerably depending on the choice of the anion and cation. This study …
Predicting CO2 capture of ionic liquids using machine learning
V Venkatraman, BK Alsberg - Journal of CO2 Utilization, 2017 - Elsevier
Ionic liquid (IL) based CO 2 capture is currently seen as a promising alternative to
conventional amine-based solvents. While the possible combinations of cations and anions …
conventional amine-based solvents. While the possible combinations of cations and anions …
The effect of descriptor choice in machine learning models for ionic liquid melting point prediction
The characterization of an ionic liquid's properties based on structural information is a
longstanding goal of computational chemistry, which has received much focus from ab initio …
longstanding goal of computational chemistry, which has received much focus from ab initio …
[BOOK][B] The properties of energetic materials: sensitivity, physical and thermodynamic properties
MH Keshavarz, TM Klapötke - 2021 - books.google.com
For a chemist who is concerned with the synthesis of new energetic compounds, it is
essential to be able to assess physical and thermodynamic properties, as well as the …
essential to be able to assess physical and thermodynamic properties, as well as the …
Ionic Liquid Melting Points: Structure–Property Analysis and New Hybrid Group Contribution Model
Melting point (T m) is one of the defining characteristics of ionic liquids (ILs) and is often one
of the most important factors in their selection for applications in separation processes …
of the most important factors in their selection for applications in separation processes …
Advanced transformer models for structure-property relationship predictions of ionic liquid melting points
Ionic liquids (ILs), recognized for their low melting points and distinct properties, have
emerged as eco-friendly alternatives to volatile organic compounds and are increasingly …
emerged as eco-friendly alternatives to volatile organic compounds and are increasingly …
Machine-Learning model prediction of ionic liquids melting points
Ionic liquids (ILs) have great potential for application in energy storage and conversion
devices. They have been identified as promising electrolytes candidates in various battery …
devices. They have been identified as promising electrolytes candidates in various battery …