• Coupled systems mechanics
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• v.6 no.3
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• pp.369-376
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• 2017

Intermolecular interaction energies and conformer geometries of the hydrogen bonded acrylamide dimers have been studied by using the second-order Møller-Plesset (MP2) perturbation theory and the density functional theory (DFT) with 17 density functionals. Dunning's correlation consistent basis sets (up to aug-cc-pVTZ) have been used to study the basis set effects. The DFT calculated interaction energies are compared to the reference energy data calculated by the MP2 method and the coupled cluster method at the complete basis set (CCSD(T)/CBS) limit in order to determine the relative performance of the studied density functionals. Overall, dispersion-energy-corrected density functionals outperform uncorrected ones. The ${\omega}B97XD$ density functional is particularly effective in terms of both accuracy and computational cost in estimating the reference energy values using small basis sets and is highly recommended for similar calculations for larger systems.

• Journal of the Korean Graphic Arts Communication Society
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• v.14 no.1
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• pp.17-29
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• 1996

N-substituted acrylamide hydrogel is reported to have the feature of bing transparent and sensitive enough to response to a temperature stimulus below the temperature of phase transition. Especially at the near of 35 C it becomes shrunk and opaque very quickly. It has also the characteristic of reversing swelling and shrinking. The experiment showed that it is possible to produce a functional gel of super water absorption with the process of free radical polymerizing PVA(polyvinylalcohol) and PAA(polyacrylamide), and crosslinking. The ratio of shrinking and swelling caused by copolymerization rises 10% to 80% at the each temperature of 20 C, 30 C, 40 C, respectively. Phase transition temperature of this gel by copolymerization is50 C while that of ordinary N-substituted acrylamides is between 32~35 C. This temperature reaches the rearing limit of animals and plants so that volumetric transition polymer gel can be ulilized in varying fields such as agriculture/gardening which are water-using field, on-off switch sensing temperature and volumetric variation, processing of liquid wastes and civil engineering works, architecture and electronics. We have no doubt that this material will be the high-functional resin in the hi-tech age of the near future.

• Elastomers and Composites
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• v.37 no.1
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• pp.31-38
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• 2002

Polymerization of carboxylated styrene-butadiene latex takes longer time than that of acrylic emulsion due to delocalization of radical in butadiene unit having conjugated double bond. A latex stability is the most important properties owing to use intact without separating polymer from base latex. For reducing polymerization time without decreasing any properties of latex, carbon tetra-chloride which has been used as the most popular chain transfer agent was replaced to combination of tert-dodecylmercaptane and ${\alpha}$-methylstyrene dimer. The replacement yielded reducement or 2 hr in polymerization time. In the increment step, charge amount of acrylic acid was limited to 0.3 part to restrain viscosity enhancement. Just after initial step, addition of 0.1 part acrylamide prevent polymer chain from diffusing between two region followed by giving hardness and final good adhesive force to latex particles.