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Related Concept Videos

Polymer Classification: Stereospecificity01:26

Polymer Classification: Stereospecificity

Polymerization generates chiral centers along the entire backbone of a polymer chain. Accordingly, the stereochemistry of the substituent group has a significant effect on polymer properties. Polymers formed from monosubstituted alkene monomers feature chiral carbons at every alternate position in the polymer backbone. Relative to the predominant orientation of substituents at the adjacent chiral carbons, the polymer can exist in three different configurations: isotactic, syndiotactic, and...
Adsorption of Gases on Solids01:28

Adsorption of Gases on Solids

Adsorption is a process where molecules, known as the adsorbates, accumulate on a surface, which is referred to as the adsorbent or substrate. Occurring at the solid-gas interface, this phenomenon is crucial in various scientific and industrial contexts. The reverse of adsorption is desorption.Two types of adsorptions exist: physical (physisorption) and chemical (chemisorption). Physisorption involves gas molecules held to the solid's surface by relatively weak intermolecular van der Waals...
Adsorption Isotherms I01:29

Adsorption Isotherms I

Adsorption isotherms are mathematical models that describe how molecules in a gas or liquid phase interact with surfaces. Two of the most common isotherm models are the Langmuir and Freundlich isotherms, which relate to Type I monolayer chemisorption. The Langmuir model is based on four key assumptions:• Adsorption cannot exceed monolayer coverage.• All surface sites are equivalent.• Molecules adsorb only at vacant sites.• There are no interactions between adsorbed molecules.Consider the...
Adsorption Isotherms II01:25

Adsorption Isotherms II

Brunauer, Emmett, and Teller (BET) introduced a theory in 1938 that modified Langmuir's assumptions to explain multilayer physical adsorption. This theory is applicable to Type II isotherms and provides a more realistic picture of adsorption processes. The BET theory assumes a uniform solid surface with localized adsorption sites, where adsorption at one site doesn't affect adsorption at neighboring sites. This theory also allows for the possibility of additional molecules being adsorbed on top...
Surface Active Agents01:27

Surface Active Agents

Surfactants, named for their behavior at interfaces, positively adsorb at the interfaces of two phases, reducing interfacial tension. Their versatility as emulsifiers, detergents, and foaming agents stems from this ability. Surfactants, often termed amphiphiles, share the property of amphipathy, with molecules having both hydrophilic and hydrophobic portions. The hydrophilic part is called the head, and the hydrophobic part, including an elongated alkyl substituent, forms the tail.Surfactants...
Molecular Weight of Step-Growth Polymers01:08

Molecular Weight of Step-Growth Polymers

Step growth polymerization involves bi or multifunctional monomers. Bifunctional monomers react to form linear step growth polymers, whereas multifunctional monomers react to form non-linear or branched polymers.
As the step-growth polymerization involves step-wise condensation of monomers, the molecular weight also builds up eventually. Consequently, high molecular weight polymers are obtained at the late stages of the polymerization, where 99% of monomers have been consumed.
The extent of the...

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Preparation of Thermoresponsive Nanostructured Surfaces for Tissue Engineering
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Published on: March 1, 2016

Structural properties of atactic polystyrene adsorbed onto solid surfaces.

Yergou B Tatek1, Mesfin Tsige

  • 1Department of Physics, Laurentian University, Sudbury, Ontario P3E 2C6, Canada. ytatek@phys.aau.edu.et

The Journal of Chemical Physics
|November 11, 2011
PubMed
Summary

This study used molecular dynamics simulations to analyze polystyrene chain conformations on different substrates. Results show side chain density and orientation vary significantly with substrate type, impacting polymer film structure.

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Investigating Single Molecule Adhesion by Atomic Force Spectroscopy
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Investigating Single Molecule Adhesion by Atomic Force Spectroscopy
09:48

Investigating Single Molecule Adhesion by Atomic Force Spectroscopy

Published on: February 27, 2015

Area of Science:

  • Materials Science
  • Polymer Physics
  • Computational Chemistry

Background:

  • Understanding polymer chain conformation at interfaces is crucial for material properties.
  • Polystyrene (PS) thin films adsorbed on solid substrates exhibit complex interfacial behavior.
  • Previous studies lack detailed atomistic insights into side chain arrangements in PS films.

Purpose of the Study:

  • To investigate the local conformation of atactic polystyrene chains in thin films.
  • To analyze the density and orientation of side chains at solid/polymer and polymer/vacuum interfaces.
  • To determine the influence of different substrates (α-quartz, graphite, amorphous silica) on PS film structure.

Main Methods:

  • Atomistically detailed simulations using the molecular dynamics code LAMMPS.
  • Focus on side chain (phenyl groups and methylene units) behavior at interfaces.
  • Comparative analysis across three distinct substrate types.

Main Results:

  • Side chain density and structural properties are highly dependent on the substrate material.
  • An excess of phenyl rings was observed near the α-quartz substrate; graphite films showed depletion of phenyl rings.
  • Side chain orientation at the substrate/film interface strongly depends on the substrate, while at the film/vacuum interface, rings orient outwards.

Conclusions:

  • The substrate surface chemistry significantly dictates the interfacial structure of polystyrene thin films.
  • Simulations provide atomistic-level understanding of side chain packing and orientation.
  • Findings align with existing experimental and simulation data, validating the simulation approach.