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M S Yeom

Publications and source records attributed to M S Yeom.

2 recordsLinked to original sources

Molecular multivalent electrolytes: microstructure and screening lengths.

We study small rod-like molecular electrolytes solutions with their corresponding atomic counterions. The asymptotic length scales (decay length and wavelength) of the structural correlations are analyzed using the formalism of the dressed interaction site theory (DIST). The correlation functions are determined using the reference interaction site model equation complemented with a mixed approach in which the hypernetted-chain closure is used for the repulsive interactions, and the mean spherical approximation is used for the attractive interactions. The results from this scheme are in good agreement with the Monte Carlo computer simulations reported here. The asymptotic properties of the correlation functions of this molecular system are compared against those corresponding to two related simple (atomic) electrolyte models. The main conclusion is that the molecular structure of the ions lowers by two orders of magnitude the concentration at which the transition from monotonic to oscillatory decay occurs.

Electrolytes↗

Structure and thermodynamics of associating rods solutions.

Physical gelation in rod-like associating polymer solutions is analyzed by computer simulations and by mean field models. The structural gelation (SG) transition is determined by a rapid change in the cluster weight average. The analytically determined SG transition is in good agreement with the simulation results. At low temperatures we observe a peak in the heat capacity, which maximum is associated with phase segregation. The SG transition is sensitive to the number of associating groups per rod but nearly insensitive to the spatial distribution of associating groups around the rods. Phase segregation is strongly dependent on both the number and distribution of associating groups per rod. We find negligible overall nematic order near the SG transition and only partial local nematic order of the clusters at the phase segregation transitions.

Journal Article↗