Publications by the researcher in collaboration with ALBERTO GUTIERREZ VEGA (35)

2024

  1. Understanding the CO2 capture potential of tetrapropylammonium-based multifunctional deep eutectic solvent via molecular simulation

    Journal of Molecular Liquids, Vol. 393

2023

  1. A theoretical study of low concentration per- and polyfluoroalkyl substances (PFAS) remediation from wastewater by novel hydrophobic deep eutectic solvents (HDES) extraction agents

    Journal of Molecular Liquids, Vol. 383

  2. Exploiting monoterpenoids in type V deep eutectic solvents: A combined high-pressure experiments and theoretical approach for enhanced carbon dioxide and nitrogen absorption

    Journal of Molecular Liquids, Vol. 391

  3. Exploring the thermophysical properties of natural deep eutectic solvents for gas capture applications: A comprehensive review

    Green Chemical Engineering

  4. Molecular dynamics study on the interfacial properties of mixtures of monomers of polyvinylpyrrolidone (PVP)-based battery binders on graphene and graphite surfaces

    Journal of Chemical Physics, Vol. 159, Núm. 4

  5. Nature of a Tetrabutylammonium Chloride-Levulinic Acid Deep Eutectic Solvent

    Industrial and Engineering Chemistry Research

  6. Separation of phenolic compounds from water by using monoterpenoid and fatty acid based hydrophobic deep eutectic solvents

    Journal of Molecular Liquids, Vol. 381

  7. Understanding of three different polyvinylpyrrolidone (PVP) based battery binders blends on graphene surfaces from first principles via DFT simulations

    Materials Chemistry and Physics, Vol. 301

2022

  1. A theoretical study of CO2 capture by highly hydrophobic type III deep eutectic solvents

    Journal of Molecular Liquids, Vol. 366

  2. A theoretical study on CO2 at Li4SiO4 and Li3NaSiO4 surfaces

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 22, pp. 13678-13689

  3. High-pressure carbon dioxide solubility in terpene based deep eutectic solvents

    Journal of Environmental Chemical Engineering, Vol. 10, Núm. 5

  4. Insights on novel type v deep eutectic solvents based on levulinic acid

    Journal of Chemical Physics, Vol. 156, Núm. 9

  5. Nanostructuring and macroscopic behavior of type V deep eutectic solvents based on monoterpenoids

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 1, pp. 512-531

  6. Tuning the properties of ionic liquids by mixing with organic solvents: The case of 1-butyl-3-methylimidazolium glutamate with alkanols

    Journal of Molecular Liquids, Vol. 347

2021

  1. Experimental and molecular modeling study on the binary mixtures of [EMIM][BF4] and [EMIM][TFSI] ionic liquids

    Journal of Molecular Liquids, Vol. 334

  2. Insights on biodiesel blends with alkanol solvents

    Journal of Molecular Liquids, Vol. 332, pp. 115864

  3. Molecular dynamics study on water confinement in deep eutectic solvents

    Journal of Molecular Liquids, Vol. 339

  4. On the properties of N-methyl-2-pyrrolidonium hydrogen sulfate ionic liquid and alkanol mixtures

    Journal of Molecular Liquids, Vol. 333

2020

  1. Behavior of Antibiotics in Natural Deep Eutectic Solvents

    Journal of Chemical and Engineering Data, Vol. 65, Núm. 9, pp. 4669-4683

  2. Insights on Betaine + Lactic Acid Deep Eutectic Solvent

    Industrial and Engineering Chemistry Research, Vol. 59, Núm. 25, pp. 11880-11892