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.

Chemistry, Analytic, Analytical chemistry, Absorption spectra

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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.

Computer simulation, Computer-generated environments, Corrosion and anti-corrosives, Corrosion (Chemistry)

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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.

Aqueous solution reactions, Chemical properties, Fullerenes

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