Computational study of the structure and behavior of aqueous mixed system sodium unsaturated carboxylate-dodecyltrimethylammonium bromide

Article Abstract:

The mixed surfactant system sodium 10-undecenoate (SUD)-dodecyltrimethylammonium bromide (DTAB) was studied by computational simulation to determine the composition and structure of the mixed microstructures. The modelization predicts spherical or cylindrical micelles with a preferential composition of SUD-DTAB of about 1:2 while the system predicts a lamellar structure with a proportion of 1:1 when SUD is replaced by the saturated soap sodium undecanoate.

Potassium & Sodium Compounds, Sodium & Sodium Compounds, Bromine Compounds, Sodium compounds

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Effects of alkali metal and ammonium cation templates on nanofibrous cryptomelane-type manganese oxide octahedral molecular sieves (OMS-2)

Article Abstract:

Four alkali cations (Li(super +), Na(super +), K(super +), and Rb(super +)) and ammonium (NH(sub 4)(super +), have been successfully used as templates for the synthesis of cryptomelane-type manganese oxide octahedral molecular sieves (A - OMS - 2, A = the template cation). H - OMS - 2 material has been prepared by the calcination of NH4 - OMS - 2.

Manganese Compounds, Properties, Alkali metal compounds

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Two dissociation pathways of water and ammonia on the Si(001) surface

Article Abstract:

First-principles density-functional calculations are used to investigate two competing pathways for the dissociation of water and ammonia on a Si(001) surface. Results show that the two dissociation pathways occur through the Lewis acid-base reaction between the partially positive H ion and the electron-abundant up atom of the buckled Si dimer.

Silicon & Inorganic Compounds, Usage, Water chemistry, Density functionals, Density functional theory, Silicon compounds

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