Spotlight on reversible emulsification and demulsification of tetradecane-water mixtures using CO2/N2 switchable surfactants: Molecular dynamics (MD) simulation

Ahmadi, Mohammad Ali; Hou, Qingfeng; Wang, Yuanyuan; Lei, Xuantong; Liu, Benjieming; Chen, Zhangxin

doi:10.1016/j.energy.2023.128100

Cited by 12 publications

(2 citation statements)

References 75 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…It harnesses the power of various stimuli to reversibly control the emulsification and demulsification processes, potentially bringing remarkable enhancements in some industries, including food, cosmetics, pharmaceuticals, and environmental remediation [25–28] . Many of these systems are dictated by the presence of smart materials, such as responsive polymers, nanoparticles, and surfactants, which undergo conformational changes in response to external stimuli, such as temperature, [29] magnetic field, [30] pH variation, [31] CO 2 /N 2 , [32,33] light irradiation [34] and their combination, [35] thus affording the unprecedented control over the emulsification‐demulsification process. These systems respond to external triggers, enabling the on‐demand control over the emulsion stability.…”

Section: Introductionmentioning

confidence: 99%

Smart emulsion system driven by light‐triggered ionic liquid molecules and its application in eco‐friendly water‐saving dyeing

Gao,

Liang,

Jing

et al. 2024

Smart Molecules

View full text Add to dashboard Cite

The smart emulsification and demulsification system with the light response is a useful tool in various industries, including green chemistry, catalytic reaction, pharmaceuticals, and environmental remediation. Herein, an ionic liquid crystal compound with a light triggered switch based on the azobenzene group [(4‐{3‐methyl‐1‐[3‐(8‐octyloxyoctyl)oxy‐4‐oxobutanoyl]imidazo‐lium‐1‐yl}octyl)oxy] ‐N‐(4‐methylphenyl)benzene‐1,2‐diazene bromide (MOIAzo), was designed and synthesized, which could cause reversible transition between emulsification and demulsification through the light trigger. The ionic liquid has an efficient photoinduced liquefaction process, which dramatically lowers the melting point of ionic liquids from 79 to 9.2 oC. This significantly broadens the liquid state temperature of the ionic liquid crystal. The ionic liquid crystal MOIAzo exhibits both photoinduced and thermally induced nematic liquid crystal properties. The smart emulsion system was effectively employed in an eco‐friendly water‐saving dyeing process of cationic dyes for cationic dyeable polyester (CDP) fabrics, which used only half the amount of water compared with the conventional water bath dyeing method. After dyeing, the oil and water phases can be efficiently separated through the light irradiation, and the oil phase can be reused for the subsequent dyeing process. This novel smart emulsion dyeing method greatly reduces the water consumption and wastewater discharge. MOIAzo as a light‐triggered ionic liquid molecule opens up new dimensions in green chemistry.

show abstract

Section: Introductionmentioning

confidence: 99%

Smart emulsion system driven by light‐triggered ionic liquid molecules and its application in eco‐friendly water‐saving dyeing

Gao,

Liang,

Jing

et al. 2024

Smart Molecules

View full text Add to dashboard Cite

show abstract

“…Molecular dynamics (MD) simulations are appropriate means to investigate the microstructures and properties of such responsive emulsion systems. ,− Xu et al investigated emulsions stabilized by pseudo-Gemini surfactants (PGS) using MD methods . The effect of the molecular structure of the spacer in PGS on the switching performance was investigated.…”

Section: Introductionmentioning

confidence: 99%

Computational Insights into a CO₂-Responsive Emulsion Prepared Using the Superamphiphile Assembled by Electrostatic Interactions

Zhao,

Zhang,

Zhang

et al. 2023

Langmuir

View full text Add to dashboard Cite

The superamphiphiles exhibit broad prospects for fabricating stimuli-responsive emulsions. Because the superamphiphiles are assembled via noncovalent interactions, they have the advantage of fast response and high efficiency. Recently, a series of switchable emulsions using CO2-responsive superamphiphiles have been developed, which extends the applications of CO2-responsive materials in widespread field. However, there is still a lack of fundamental understanding on the switching mechanism related to the assembled structure of superamphiphiles at the oil–water interface. We employed molecular dynamics (MD) simulations to investigate the reversible emulsification/demulsification process of a responsive emulsion system stabilized by a recently developed responsive superamphiphile (BTOA), which consists of oleic acid (OA) and cationic amine (named 1,3-bis(aminopropyl)tetramethyldisiloxane, BT). The simulation results present the morphologies in both the emulsion and demulsification states. It is found that the ionized OA– and the protonated BT+ together form an adsorption layer at the oil–water interface. The hydrophobic parts of BT+ are inserted into the adsorption layer, and the two amine groups contact the water phase. This adsorption layer reduces the interfacial tension and stabilizes the emulsion. After the bubbling of CO2, the surfactants were fully protonated to OA and BT2+. Because of the changes in the molecular polarity, OA and BT2+ entered the oil and water phases, respectively, resulting in demulsification. The structural and dynamical properties were analyzed to reveal the different intermolecular interactions that were responsible for the reversible reversibility of the emulsion. The observations are considered to be complementary to experimental studies and are expected to provide deeper insights into studies on developing responsive materials via supramolecular assemblies.

show abstract

Enhancing the Emulsification and Demulsification Efficiency of Switchable Surfactants through Molecular Dynamics Simulation: The Roles of Surfactant Concentration, Salinity, and Structure

Ahmadi,

Hou,

Wang

et al. 2024

Chemical Engineering Research and Design

View full text Add to dashboard Cite

Spotlight on reversible emulsification and demulsification of tetradecane-water mixtures using CO2/N2 switchable surfactants: Molecular dynamics (MD) simulation

Cited by 12 publications

References 75 publications

Smart emulsion system driven by light‐triggered ionic liquid molecules and its application in eco‐friendly water‐saving dyeing

Smart emulsion system driven by light‐triggered ionic liquid molecules and its application in eco‐friendly water‐saving dyeing

Computational Insights into a CO₂-Responsive Emulsion Prepared Using the Superamphiphile Assembled by Electrostatic Interactions

Enhancing the Emulsification and Demulsification Efficiency of Switchable Surfactants through Molecular Dynamics Simulation: The Roles of Surfactant Concentration, Salinity, and Structure

Contact Info

Product

Resources

About

Spotlight on reversible emulsification and demulsification of tetradecane-water mixtures using CO2/N2 switchable surfactants: Molecular dynamics (MD) simulation

Cited by 12 publications

References 75 publications

Smart emulsion system driven by light‐triggered ionic liquid molecules and its application in eco‐friendly water‐saving dyeing

Smart emulsion system driven by light‐triggered ionic liquid molecules and its application in eco‐friendly water‐saving dyeing

Computational Insights into a CO2-Responsive Emulsion Prepared Using the Superamphiphile Assembled by Electrostatic Interactions

Enhancing the Emulsification and Demulsification Efficiency of Switchable Surfactants through Molecular Dynamics Simulation: The Roles of Surfactant Concentration, Salinity, and Structure

Contact Info

Product

Resources

About

Computational Insights into a CO₂-Responsive Emulsion Prepared Using the Superamphiphile Assembled by Electrostatic Interactions