Related Experiment Video
Updated: Jun 16, 2025
06:35
Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
8.1K
Noncovalent Interactions Define Global Properties of HTPB Isomers
Dipak Prasad1, Nilanjan Mitra1
1Hopkins Extreme Materials Institute and Department of Mechanical Engineering, Johns Hopkins University, Baltimore, Maryland 21218, United States.
The Journal of Physical Chemistry. B
|August 15, 2024
Summary
Different isomers of hydroxyl-terminated polybutadiene (HTPB) show varied thermomechanical properties due to noncovalent interactions. This finding is crucial for understanding polymer behavior in various applications.
Area of Science:
- Polymer Chemistry
- Materials Science
- Computational Chemistry
Background:
- Commercially available hydroxyl-terminated polybutadiene (HTPB) exists in various isomeric forms (cis, trans, vinyl).
- These HTPB isomers are used in diverse applications, including rocket propellants and automotive tires.
- Differences in thermomechanical properties are observed among different HTPB variants.
Purpose of the Study:
- To investigate the molecular-level reasons behind the differing thermomechanical properties of HTPB isomers.
- To explore the role of noncovalent interactions in the observed property variations.
- To provide insights relevant to the broader polymer chemistry community.
Main Methods:
- Molecular dynamics simulations were employed to study two specific HTPB isomers.
- Analysis focused on the noncovalent interactions between the polymer chains.
Main Results:
- Distinct differences in thermomechanical response were observed between the two studied HTPB isomers.
- These variations were found to be directly linked to the noncovalent interactions occurring between the isomers.
- Simulation data revealed specific interaction patterns influencing material behavior.
Conclusions:
- Noncovalent interactions are a key factor determining the thermomechanical properties of HTPB isomers.
- Understanding these interactions can help predict and control polymer performance.
- The findings have implications for tailoring HTPB-based materials for specific applications.
Related Concept Videos
02:52Stereoisomerism
11.8K
Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...
11.8K
02:56Intermolecular Forces and Physical Properties
20.6K
20.6K
02:34Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility
44.2K
Intermolecular forces are attractive forces that exist between molecules. They dictate several bulk properties, such as melting points, boiling points, and solubilities (miscibilities) of substances. Molar mass, molecular shape, and polarity affect the strength of different intermolecular forces, which influence the magnitude of physical properties across a family of molecules.
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
44.2K
02:35Noncovalent Attractions in Biomolecules
49.7K
Noncovalent attractions are associations within and between molecules that influence the shape and structural stability of complexes. These interactions differ from covalent bonding in that they do not involve sharing of electrons.
Four types of noncovalent interactions are hydrogen bonds, van der Waals forces, ionic bonds, and hydrophobic interactions.
Hydrogen bonding results from the electrostatic attraction of a hydrogen atom covalently bonded to a strong-electronegative atom like oxygen,...
Four types of noncovalent interactions are hydrogen bonds, van der Waals forces, ionic bonds, and hydrophobic interactions.
Hydrogen bonding results from the electrostatic attraction of a hydrogen atom covalently bonded to a strong-electronegative atom like oxygen,...
49.7K
03:13Intermolecular Forces
58.0K
Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
58.0K
02:34Structural Isomerism
19.1K
Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
19.1K