Solvent Effects on CO 2 Capture by Simple Amino Acids: An Integrated Density Functional Theory -Machine Learning Approach

Mukul .; Sandhiya Lakshmanan

doi:10.1039/d5cp04797h

January 1, 2026Physical Chemistry Chemical Physics

Solvent Effects on CO 2 Capture by Simple Amino Acids: An Integrated Density Functional Theory -Machine Learning Approach

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Key Points

This research aims to understand how molecular structure and solvent environment affect CO2 capture by amino acids.
Utilized integrated density functional theory to analyze amino acids in various solvent environments.
Applied machine learning techniques to predict reaction mechanisms and capture efficiency.
Evaluated the molecular structure's influence on CO2 absorption characteristics.
Identified key solvent effects that enhance or hinder CO2 capture by amino acids.
Revealed specific molecular structures that optimize CO2 absorption processes.
Demonstrated machine learning's capability in predicting effective carbon capture strategies.

Implication

Integrated density functional theory reveals solvent effects on CO2 capture by amino acids, suggesting new carbon capture technologies.

Abstract

CO 2 capture by amino acids offers promising approach for carbon capture technologies, yet the influence of molecular structure and solvent environment on reaction mechanisms remains least understood. The present...

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Cite This Study

. et al. (2026) studied this question.

synapsesocial.com/papers/69b606af83145bc643d1ccb5 https://doi.org/10.1039/d5cp04797h

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Solvent Effects on CO 2 Capture by Simple Amino Acids: An Integrated Density Functional Theory -Machine Learning Approach

Key Points

Implication

Abstract

Discussion

Cite This Study

Solvent Effects on CO 2 Capture by Simple Amino Acids: An Integrated Density Functional Theory -Machine Learning Approach

Key Points

Implication

Abstract

Discussion

Cite This Study

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