Hydrogen bonding and the conformations of poly(alkyl acrylamides)
UNSPECIFIED. (2002) Hydrogen bonding and the conformations of poly(alkyl acrylamides). JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 124 (18). pp. 5206-5212. ISSN 0002-7863Full text not available from this repository.
Official URL: http://dx.doi.org/10.1021/ja025652x
The conformations of poly(alkyl acrylamide) oligomers in nonpolar solvents were studied using molecular dynamics techniques. Poly(methyl acrylamide) was found to collapse to a globule-like conformation at low temperatures; however, excluded volume effects inhibited the collapse of poly(octadecyl acrylamide). A high density of structured units, characterized by a trans-gauche-trans-trans-gauche-trans torsional sequence along the backbone, was noted in all simulations, Such units were found to create a particularly stable set of intramolecular hydrogen bonds. An oligomer constructed with these stable units was found to have significantly lower minimized energy than both the all-trans and the helical backbone conformations. The constructed conformation had lower Coulomb energy (more hydrogen bonds) than the all-trans conformation and lower dihedral energy (less backbone distortion) than the helical conformation. The propensity for poly(octadecyl acrylamide) to form hydrogen bonds introduced significant disorder into the orientation of the alkyl side chains, This disorder would inhibit crystallization and restrict the ability of such polymer's to form epitaxial seeds for nucleating paraffin crystals.
|Item Type:||Journal Article|
|Subjects:||Q Science > QD Chemistry|
|Journal or Publication Title:||JOURNAL OF THE AMERICAN CHEMICAL SOCIETY|
|Publisher:||AMER CHEMICAL SOC|
|Official Date:||8 May 2002|
|Number of Pages:||7|
|Page Range:||pp. 5206-5212|
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