Effect of pore width on micropore filling mechanism of SO2 in carbon micropores

Article Abstract:

The influence of the micropore width on the micropore filling of silicon dioxide (SO2) was investigated through the combination of calorimetric calculation and molecular potential approximation. It was previously established that activated carbon fibers had regulated uniform micropores and that the micropore filling process of SO2 on the microporous carbon was studied as a function of pore width. It was revealed that an increase in the micropore width resulted to a decrease in the differential energy of SO2 adsorption. The pore width affected the ordering of the SO2 dipoles.

Dipole moments, Silicon compounds

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Mechanism of charge transport along columnar stacks of a triphenylene dimer

Article Abstract:

A study was conducted to analyze the mechanism of charge transport along columnar stacks of a triphenylene dimer. Time-of-flight and pulse-radiolysis time-resolved microwave conductivity techniques were utilized to determine the charge carrier mobility. Nanosecond time resolution was then carried out to determine radiation-induced conductivity. Experimental results indicated that thermally activated jumps over barriers with an exponential distribution of barrier heights was the only consistent transport mechanism.

Organic compounds, Crystallization

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Trimethylaluminum: a computer study of the condensed phases and the gas dimer

Article Abstract:

A study was conducted to analyze the characteristics of the gas-phase dimer, the liquid and the solid using molecular dynamics simulations on trimethylaluminum. An empirical potential framework for trimethylaluminum which can be utilized to examine bond formation and breaking was developed. In addition, several distances and angles of the energy-minimized trimethylaluminum dimer were determined by the Car-Parrinello method.

Organometallic compounds

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