A full-relaxation optimization of molecule and the popular MM2 force field are employed to obtain the geometry parameters and the conformational energy surface of a meso or a racemic dyad of poly(methyl acrylate) (PMA...A full-relaxation optimization of molecule and the popular MM2 force field are employed to obtain the geometry parameters and the conformational energy surface of a meso or a racemic dyad of poly(methyl acrylate) (PMA) with a specified carbonyl-bond orientation in side-groups. It is found that the conformational energy maps calculated here considerably differ from those calculated with the rigid molecular model as reported in the earlier studies. The g(-) state cannot be omitted in the obtained contour maps. Two important conformers tg(-) and g(-t) with energy minima were newly detected for a racemic dyad. The analysis on the conformations with energy minima confirmed that the ester groups are not always perpendicular to the plane defined by the two adjacent skeletal bonds and may change their relative orientations to meet the requirement of lower energies during the conformational state transition. Instead of the early way of adjusting the interaction energy parameters to fit the experimental data, we attempt to predict unperturbed chain dimensions via the reliable force field and the configurational statistical mechanics. The proposed scheme with three rotational states identified from the contour maps allowed us to satisfactorily reproduce the experimental dimensions of random PMA chains.展开更多
Monodisperse poly(poly(ethyleneglycol) methyl ether acrylate-co-acrylic acid) (poly(PEGMA-co-AA)) microspheres were prepared by distillation-precipitation polymerization with divinylbenzene (DVB) as crosslin...Monodisperse poly(poly(ethyleneglycol) methyl ether acrylate-co-acrylic acid) (poly(PEGMA-co-AA)) microspheres were prepared by distillation-precipitation polymerization with divinylbenzene (DVB) as crosslinker with 2,2'- azobisisobutyronitrile (AIBN) as initiator in neat acetonitrile without stirring. Under various reaction conditions, four distinct morphologies including the sol, microemulsion, microgels and microspheres were formed during the distillation of the solvent from the reaction system. A 2D morphological map was established as a function of crosslinker concentration and the polar monomer AA concentration, in comonomer feed in the transition between the morphology domains. The effect of the covalent crosslinker DVB on the morphology of the polymer network was investigated in detail at AA fraction of 40 vol%. The ratios of acid to ethylene oxide units presenting in the comonomers dramatically affected the polymer-polymer interaction and hence the morphology of the resultant polymer network. The covalent crosslinking by DVB and the hydrogen bonding crosslinking between two acid units as well as between the acid and ethylene oxide unit played key roles in the formation of monodisperse polymer microspheres.展开更多
In this paper we will try to create, propose and analyze structure of a slow light device, based on plasmonic induced transparency in a metal-dielectric-metal based ring resonator. Group index by first design about 37...In this paper we will try to create, propose and analyze structure of a slow light device, based on plasmonic induced transparency in a metal-dielectric-metal based ring resonator. Group index by first design about 37 and second design about 35 earned. The proposed dielectric material is Poly Methyl Meta Acrylate (PMMA) sandwiched by gold metal cladding. Finite Element Method-con- ducted Electromagnetic simulations are employed to evaluate the plasmonic designs for behavior of slow light. The signal and pump wavelength are assumed to be 830 nm and 1550 nm respectively in the systems. The overall length of the plasmonic slow light system is 600 nm. In a wide range of frequency bands, the optical properties of metals can be described with a plasma model. The optical signal can be achieved with the use of surface waves on the boundary between the insulating materials and metals with dimensions smaller than the diffraction limit. The main goal, is estimation of optical characteristics such as bandwidth, the Real and Imaginary parts of refractive index, group velocity and slow down factor in such optical devices. The obtained results and observations, can be useful in basic research and the production of highly integrated plasmonic devices.展开更多
The miscibility, crystallization behavior and morphological structure of PHB/PMA blends have been studied by the differential scanning calorimeter (DSC) and polarized optical microscopy (POM). The chemical repeat unit...The miscibility, crystallization behavior and morphological structure of PHB/PMA blends have been studied by the differential scanning calorimeter (DSC) and polarized optical microscopy (POM). The chemical repeat units of the two components of the blend are isomers. The results indicate that PHB and PMA are miscible in the melt. The addition of PMA into PHB results in a depression in the spherulite growth rate of PHB. With increasing PMA content in the blends, the texture of PHB spherulite becomes more open.展开更多
基金This work has been supported by the National Science Foundation of China,the Youth Science Foundation of Academia Sinica,the China Postdoctoral Science Foundation and Polymer Physics Laboratory, Academia Sinica.
文摘A full-relaxation optimization of molecule and the popular MM2 force field are employed to obtain the geometry parameters and the conformational energy surface of a meso or a racemic dyad of poly(methyl acrylate) (PMA) with a specified carbonyl-bond orientation in side-groups. It is found that the conformational energy maps calculated here considerably differ from those calculated with the rigid molecular model as reported in the earlier studies. The g(-) state cannot be omitted in the obtained contour maps. Two important conformers tg(-) and g(-t) with energy minima were newly detected for a racemic dyad. The analysis on the conformations with energy minima confirmed that the ester groups are not always perpendicular to the plane defined by the two adjacent skeletal bonds and may change their relative orientations to meet the requirement of lower energies during the conformational state transition. Instead of the early way of adjusting the interaction energy parameters to fit the experimental data, we attempt to predict unperturbed chain dimensions via the reliable force field and the configurational statistical mechanics. The proposed scheme with three rotational states identified from the contour maps allowed us to satisfactorily reproduce the experimental dimensions of random PMA chains.
基金This work was supported in part by the National Science Foundation of China (No. 20504015)the starting project for young teachers from the Ministry of Education, China.
文摘Monodisperse poly(poly(ethyleneglycol) methyl ether acrylate-co-acrylic acid) (poly(PEGMA-co-AA)) microspheres were prepared by distillation-precipitation polymerization with divinylbenzene (DVB) as crosslinker with 2,2'- azobisisobutyronitrile (AIBN) as initiator in neat acetonitrile without stirring. Under various reaction conditions, four distinct morphologies including the sol, microemulsion, microgels and microspheres were formed during the distillation of the solvent from the reaction system. A 2D morphological map was established as a function of crosslinker concentration and the polar monomer AA concentration, in comonomer feed in the transition between the morphology domains. The effect of the covalent crosslinker DVB on the morphology of the polymer network was investigated in detail at AA fraction of 40 vol%. The ratios of acid to ethylene oxide units presenting in the comonomers dramatically affected the polymer-polymer interaction and hence the morphology of the resultant polymer network. The covalent crosslinking by DVB and the hydrogen bonding crosslinking between two acid units as well as between the acid and ethylene oxide unit played key roles in the formation of monodisperse polymer microspheres.
文摘In this paper we will try to create, propose and analyze structure of a slow light device, based on plasmonic induced transparency in a metal-dielectric-metal based ring resonator. Group index by first design about 37 and second design about 35 earned. The proposed dielectric material is Poly Methyl Meta Acrylate (PMMA) sandwiched by gold metal cladding. Finite Element Method-con- ducted Electromagnetic simulations are employed to evaluate the plasmonic designs for behavior of slow light. The signal and pump wavelength are assumed to be 830 nm and 1550 nm respectively in the systems. The overall length of the plasmonic slow light system is 600 nm. In a wide range of frequency bands, the optical properties of metals can be described with a plasma model. The optical signal can be achieved with the use of surface waves on the boundary between the insulating materials and metals with dimensions smaller than the diffraction limit. The main goal, is estimation of optical characteristics such as bandwidth, the Real and Imaginary parts of refractive index, group velocity and slow down factor in such optical devices. The obtained results and observations, can be useful in basic research and the production of highly integrated plasmonic devices.
文摘The miscibility, crystallization behavior and morphological structure of PHB/PMA blends have been studied by the differential scanning calorimeter (DSC) and polarized optical microscopy (POM). The chemical repeat units of the two components of the blend are isomers. The results indicate that PHB and PMA are miscible in the melt. The addition of PMA into PHB results in a depression in the spherulite growth rate of PHB. With increasing PMA content in the blends, the texture of PHB spherulite becomes more open.