Volumetric Interaction Mechanisms in 2-Ethylhexylamine– DMSO Mixtures for CO₂ Capture: Experimental Excess Molar Volume Analysis and COSMO-RS Modelling
DOI: https://doi.org/10.55373/mjchem.v28i3.61
Keywords: Redlich-Kister, excess molar volume, EHA, DMSO, COSMO-RS model
Abstract
Understanding the volumetric properties of a solvent system is crucial for developing and optimising CO₂ absorption processes for efficient CO₂ capture. Hence this study explores volumetric properties for binary mixtures of 2-ethylhexylamine (EHA) and dimethyl sulfoxide (DMSO) for CO₂ absorption. The experimental density data, ρ, collected over the whole mixture composition at temperatures 298.15 K to 353.15 K, were used to calculate excess molar volumes (VmE). Subsequently correlated using the Redlich-Kister polynomial equation. A negative VmE values were observed at lower EHA composition, while, a positive VmE values were observed at high EHA composition in the binary mixtures system indicating compression and expansion of volume due to interaction between EHA and DMSO in the binary mixtures system throughout the composition range. Subsequently, COSMO-RS modelling was applied to deduce the molecular interactions.