Abstract
This paper presents a review on recent progress in quantitative structure-property relationship (QSPR) studies of surfactants and applications of various molecular descriptors. QSPR studies on critical micelle concentration (cmc) and surface tension (γ) of surfactants are introduced. Studies on charge distribution in ionic surfactants by quantum chemical calculations and its effects on the structures and properties of the colloids of surfactants are also reviewed. The trends of QSPR studies on cloud point (for nonionic surfactants), biodegradation potential and some other properties of surfactants are evaluated.
Highlights
Surfactants are usually amphiphilic organic compounds, meaning they contain both hydrophobic groups and hydrophilic groups
The progress in the quantitative structure-property relationship (QSPR) studies on surfactants relating to cloud points, charge distribution, surface tension, degradation and other properties have been reviewed (Table 2)
In earlier QSPR studies for surfactants cited in the present review, topological descriptors were mostly adopted to correlate activities/properties, theses studies may lack insightfulness since there have been few investigations involving effects of electronic motion in molecules on their properties and functions that is highly critical to development and application of surfactants
Summary
Surfactants are usually amphiphilic organic compounds, meaning they contain both hydrophobic groups (their "tails") and hydrophilic groups (their "heads"). Fluorosurfactants have a fluorinated "tail" and a hydrophilic "head",and are more effective at lowering the surface tension of water than comparable hydrocarbon surfactants, as they can lower the surface tension of water down to a value half of what is attainable by using hydrocarbon surfactants [14] Some fluorosurfactants, such as PFOS, are detected in humans and wildlife, and fluorosurfactants tend to concentrate at the liquid-air interface due to the lipophobic nature of fluorocarbons [15]. Using thermodynamic data and other experimental data, widely applicable and acceptable QSPR models have been established between basic structures and physicochemical properties, applicable functions and some other special properties [17,18,19,20,21] These QSPR models regarding surfactants are generally based only on the summary of a large amount of experimental data, and no detailed studies on their mechanisms of interaction have been performed. We will mainly review recent progress on development of QSPR for surfactants
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
