Microphase Separation of Phenylene Oligomers with Polymeric Side Chains: A Dissipative Particle Dynamics Study

2011-06-22
Yıldırım, Erol
Kenarli, Burcu
Demirel, A. Levent
The microphase-separated morphologies of p-phenylene oligomers with POx, PCL, PS, and PEO side chains are studied using DPD simulations. It is shown that the microphase-separated morphologies depend significantly on the degree of chemical incompatibility between the components as indicated by the Flory-Huggins interaction parameters. The good agreement of the microphase separated morphologies as simulated by DPD with the experimentally determined thin film morphologies suggests that DPD can produce convincing morphological information at the nanoscale. The results show that grafting of polymeric side chains can be an important tool to control the morphology of polymers with a rigid backbone.
MACROMOLECULAR THEORY AND SIMULATIONS

Suggestions

Soluble Alkyl Substituted Poly(3,4-Propylenedioxyselenophene)s: A New Platform For Optoelectronic Materials
Atak, Samed; Icli-Ozkut, Merve; Önal, Ahmet Muhtar; CİHANER, ATİLLA (Wiley, 2011-10-15)
Optical and electrochemical properties of regiosymmetric and soluble alkylenedioxyselenophene-based electrochromic polymers, namely poly(3,3-dibutyl-3,4-dihydro-2H-seleno pheno [3,4-b][1,4]dioxephine) (PProDOS-C(4)), poly(3,3-dihexyl-3,4-dihydro-2H-selenopheno[3,4-b][1,4]dioxephine) (PProDOS-C(6)), and poly(3,3-didecyl-3,4-dihydro-2H-selenopheno[3,4-b][1,4]dioxephine) (PProDOS-C(10)), are highlighted. It is noted that these unique polymers have low bandgaps (1.57-1.65 eV), and they are exceptionally stable ...
Synthesis of conducting block and graft copolymers with polyether segments
Yagci, Y; Toppare, Levent Kamil (Wiley, 2000-07-01)
Synthesis of block and graft copolymers containing polyether and conducting polypyrrole sequences were described. Pyrrole moieties were incorporated at the chain ends of polytetrahydrofuran and polysiloxane and at the side chains of polyethyl vinylether by ionic polymerization and appropriate chemical reactions. Subsequent electropolymerization with pyrrole through these moities yielded free standing films of the corresponding block and graft copolymers. The formation copolymers was evidenced by FTIR spectr...
Positional effect of nitrogen substitution on a certain perylene chromophore - A semiempirical treatment
Türker, Burhan Lemi; Gumus, Selcuk (Informa UK Limited, 2008-01-01)
The effect of aza substitution at different sites of a benzimidazole derivative of a perylenetetracarboxylic-3,4,9,10 acid is investigated theoretically. These, as yet nonexistent aza derivatives have been subjected to theoretical analysis at PM3 (RHF) type semiempirical calculations. The results indicate that all the structures are stable but endothermic. Substitution of nitrogen on the bay region of the perylene core is more favored. The electronic and vibrational spectra have also been computed.
Synthesis and optical properties of light-emitting π-conjugated polymers containing biphenyl and dithienosilole
LIAO, Liang; Çırpan, Ali; CHU, Qinghui; KARASZ, Frank E.; PANG, YI (Wiley, 2007-05-15)
Copolymers containing oligo(phenylene vinylene) (2.5), fluorene, and 4,4-dihexyldithienosilole (DTS) units were synthesized and characterized. The pi-conjugated monomers were joined with the palladium(0)-catalyzed Suzuki-Miyaura coupling reaction, thus forming either biphenyl- or phenyl-thiophene linkages. These polymers were photoluminescent, with the fluorescent quantum efficiency between 54 and 63% and with),lambda(max) for fluorescence at similar to 448 nm in tetrahydrofuran. The presence of 5% DTS in t...
Spectroelectrochemical and Photovoltaic Characterization of a Solution-Processable n-and-p Type Dopable Pyrrole-Bearing Conjugated Polymer
Baran, Derya; Balan, Abidin; Esteban, Beatriz-Meana; Neugebauer, Helmut; Sariciftci, Niyazi Serdar; Toppare, Levent Kamil (Wiley, 2010-12-15)
D-A-D-type polymers are of high interest in the field of photovoltaics and electrochromism. In this study we report the synthesis and electrochemical properties of PPyBT along with its photophysical properties and photovoltaic performance. PPyBT is soluble in common organic solvents and both n- and p-type dopable, which is a desired property for conjugated polymers. During electrochemistry studies, the onset potentials of the polymer were determined as +0.2V for oxidation and -1.4V for reduction. Using thes...
Citation Formats
E. Yıldırım, B. Kenarli, and A. L. Demirel, “Microphase Separation of Phenylene Oligomers with Polymeric Side Chains: A Dissipative Particle Dynamics Study,” MACROMOLECULAR THEORY AND SIMULATIONS, pp. 340–349, 2011, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/47577.