Single-sphere model for absorption spectrum of interfacial molecules with application to predictions of orientational angles
Article Abstract:
A novel expression for nonequilibrium free energy is proposed within the framework of the continuum model and a simple, analytical model is deduced for the solvent effect of absorption spectrum of an interfacial molecule. The experimental data of N,N-diethyl-p-nitroaniline and 4-(2,4,6-triphenylpyridinium)-2,6-diphenylphenoxide has helped the presented model to provide reasonable prediction of orientational angles for different interfaces.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Corrosion inhibitors: Design, performance, and computer simulations
Article Abstract:
A study is performed to predict the performance of the corrosion inhibitor (CI) using specific type of modeled and excremental surfaces and their estimation. The study reveals the crucial dependence of the corrosion inhibition efficiency on molecular structure, chain length, size ratio between the headgroups and the tail chain unit, concentration and the weak and strong interactions with substrate.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Effect of arm length on the aggregation structure of fullerene-based ionomers
Article Abstract:
Aqueous solution of a fullerene-based star ionomer-hexai is investigated with the help of small angle neutron scattering and small-angle X-ray scattering. The scattering findings indicate that the water-soluble fullerene-based ionomers of a starlike molecular morphology form rodlike aggregates in water solutions.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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