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Polymer Classification: Architecture

Polymer Classification: Architecture

Polymers are classified as linear or branched on the basis of their chain architecture. The polymer chains in linear polymers have a long chain-like structure with minimal to no branching at all. Even if a polymer features large substituent groups on the monomer, which appear as branches to the skeleton, it is not considered a branched polymer. A branched polymer contains secondary polymer chains that arise from the main polymer chain. The branching occurs when the polymer growth shifts from...

Polymer Classification: Crystallinity

Polymer Classification: Crystallinity

Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...

Polymer Classification: Stereospecificity

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...

Determination of Molar Masses of Polymers I

Determination of Molar Masses of Polymers I

Polymerization produces macromolecules with a range of chain lengths due to the random nature of molecular growth processes. As chains form and terminate at different stages, a single polymer sample contains molecules of varying sizes rather than a uniform structure. This variability is described using average molar masses and distribution-related parameters, which together provide a comprehensive understanding of polymer characteristics.The distribution of molar masses plays a critical role in...

Plasticizers

Plasticizers

Water-reducers, or plasticizers, are chemical admixtures used in concrete to improve strength and workability. These additives reduce the water-cement ratio without compromising workability, lower the cement content while maintaining the same workability, or increase workability to assist concrete placement in inaccessible areas.
Plasticizers function by using surface-active agents to create repulsive electrostatic forces between cement particles. This dispersion enhances the concrete's...

Determination of Molar Masses of Polymers II

Determination of Molar Masses of Polymers II

Polymer samples typically consist of macromolecular chains with a distribution of lengths, resulting in a range of molar masses rather than a single discrete value. Conventional descriptors such as the number-average molar mass and weight-average molar mass quantify this distribution but do not fully capture polymer behavior in solution..The viscosity-average molar mass provides a more realistic description of polymer behavior in solution because it accounts for the enhanced contribution of...

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Related Experiment Video

Updated: Jul 11, 2026

Microwave-assisted Functionalization of Poly(ethylene glycol) and On-resin Peptides for Use in Chain Polymerizations and Hydrogel Formation

Microwave-assisted Functionalization of Poly(ethylene glycol) and On-resin Peptides for Use in Chain Polymerizations and Hydrogel Formation

Published on: October 30, 2013

Predicting plasticization efficiency from three-dimensional molecular structure of a polymer plasticizer.

M Tarvainen¹, R Sutinen, M Somppi

¹Department of Pharmaceutics, University of Kuopio, Finland. Maarit.Tarvainen@uku.fi

Pharmaceutical Research

|January 12, 2002

Summary

Computerized molecular modeling accurately predicts plasticization efficiency (beta) in polymers. Key molecular properties like hydrogen bonding and hydrophobicity are crucial for effective plasticizers.

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Microwave-assisted Functionalization of Poly(ethylene glycol) and On-resin Peptides for Use in Chain Polymerizations and Hydrogel Formation

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Area of Science:

Polymer Science
Materials Chemistry
Computational Chemistry

Background:

Plasticizers enhance polymer film formation in coatings.
Understanding plasticizer efficiency is vital for material development.

Purpose of the Study:

To utilize VolSurf with GRID, a novel computerized method, for predicting plasticization efficiency (beta).
To identify critical molecular properties essential for effective polymer plasticization.

Main Methods:

Plasticization of starch acetate DS 2.8 (SA) with 24 compounds.
Measurement of glass transition temperature (Tg) decrease via differential scanning calorimetry (DSC) as an indicator of beta.
Correlation of experimental data with theoretical molecular properties using partial least squares discriminant analysis.

Main Results:

A strong correlation (r2 = 0.77, q2 = 0.58) was found between molecular modeling predictions and experimental data.
Plasticization efficiency (beta) can be predicted from a compound's 3D molecular structure.
Potent plasticizers for SA exhibited strong hydrogen bonding capacity and a distinct hydrophobic region.

Conclusions:

The VolSurf method is a valuable tool for predicting plasticization efficiency.
Physicochemical properties are primary drivers of a compound's plasticization efficiency, as confirmed by correlating experimental and calculated Tg values.