• Title/Summary/Keyword: chemical compounds

Search Result 4,903, Processing Time 0.039 seconds

The coupling Reactions of Alicyclic 1,2-Dihalopolyfluoroolefins with Copper

  • J. D. Park;Robert L. Soulen;Sam Kwon Choi
    • Journal of the Korean Chemical Society
    • /
    • v.16 no.3
    • /
    • pp.166-177
    • /
    • 1972
  • This paper reports the reaction of monoiodoperfluorocycloakense with alkyl lithium and activated copper repectively resulting in various coupling products. Of particular interests are compounds of the following composition. The physical properties of the various compounds are given along with a discussion relating to the mechanistic pathways involved in the coupling reactions.

  • PDF

DFT Studies on Two Novel Explosives Based on the Guanidine-Fused Bicyclic Structure

  • Jin, Xing-Hui;Hu, Bing-Cheng;Jia, Huan-Qing;Liu, Zu-Liang;Lu, Chun-Xu
    • Bulletin of the Korean Chemical Society
    • /
    • v.35 no.4
    • /
    • pp.1043-1049
    • /
    • 2014
  • Density functional theory (DFT) calculations at the B3LYP/6-31G(d,p) theoretical level were performed for two novel explosives (compounds B and C) based on the guanidine-fused bicyclic skeleton $C_4N_6H_8$ (A). The heats of formation (HOFs) were calculated via isodesmic reaction. The detonation properties were evaluated by using the Kamlet-Jacobs equations. The bond dissociation energies (BDEs) for the thermolysis initiation bond were also analyzed to investigate the thermal stability. The results show that the compounds have high positive HOF values (B, 1064.68 $kJ{\cdot}mol^{-1}$; C, 724.02 $kJ{\cdot}mol^{-1}$), high detonation properties (${\rho}$, D and P values of 2.04 $g{\cdot}cm^{-3}$ and 2.21 $g{\cdot}cm^{-3}$, 9.98 $km{\cdot}s^{-1}$ and 10.99 $km{\cdot}s^{-1}$, 46.44 GPa and 59.91 Gpa, respectively) and meet the basic stability requirement. Additionally, feasible synthetic routes of the these high energy density compounds (HEDCs) were also proposed via retrosynthetic analysis.

Surface-enhanced infrared detection of benzene in air using a porous metal-organic-frameworks film

  • Kim, Raekyung;Jee, Seohyeon;Ryu, Unjin;Lee, Hyeon Shin;Kim, Se Yun;Choi, Kyung Min
    • Korean Journal of Chemical Engineering
    • /
    • v.36 no.6
    • /
    • pp.975-980
    • /
    • 2019
  • Infrared (IR) spectroscopy is a powerful technique for observing organic molecules, as it combines sensitive vibrational excitations with a non-destructive probe. However, gaseous volatile compounds in the air are challenging to detect, as they are not easy to immobilize in a sensing device and give enough signal by themselves. In this study, we fabricated a thin nanocrystalline metal-organic framework (nMOF) film on a surface plasmon resonance (SPR) substrate to enhance the IR vibration signal of the gaseous volatile compounds captured within the nMOF pores. Specifically, we synthesized nanocrystalline HKUST-1 (nHKUST-1) particles of ca. 80 nm diameter and used a colloidal dispersion of these particles to fabricate nHKUST-1 films by a spin-coating process. After finding that benzene was readily adsorbed onto nHKUST-1, an nHKUST-1 film deposited on a plasmonic Au substrate was successfully applied to the IR detection of gaseous benzene in air using surface-enhanced IR spectroscopy.

Effect of Surfactant on the Physical Properties and Crosslink Density of Silica Filled ESBR Compounds and Carbon Black Filled Compounds

  • Hwang, Kiwon;Kim, Woong;Ahn, Byungkyu;Mun, Hyunsung;Yu, Eunho;Kim, Donghyuk;Ryu, Gyeongchan;Kim, Wonho
    • Elastomers and Composites
    • /
    • v.53 no.2
    • /
    • pp.39-47
    • /
    • 2018
  • Styrene-butadiene rubber (SBR) is widely used in tire treads due to its excellent abrasion resistance, braking performance, and reasonable cost. Depending on the polymerization method, SBR is classified into solution-polymerized SBR (SSBR) and emulsion-polymerized SBR (ESBR). ESBR is less expensive and environmentally friendlier than SSBR because it uses water as a solvent. A higher molecular weight is also easier to obtain in ESBR, which has advantages in mechanical properties and tire performance. In ESBR polymerization, a surfactant is added to create an emulsion system with a hydrophobic monomer in the water phase. However, some amount of surfactant remains in the ESBR during coagulation, making the polymer chains in micelles clump together. As a result, it is well-known that residual surfactant adversely affects the physical properties of silica-filled ESBR compounds. However, researches about the effect of residual surfactant on the physical properties of ESBR are lacking. Therefore, in this study we compared the effects of remaining surfactant in ESBR on the mechanical properties of silica-filled and carbon black-filled compounds. The crosslinking density and filler-rubber interaction are also analyzed by using the Flory-Rehner theory and Kraus equation. In addition, the effects of surfactant on the mechanical properties and crosslinking density are compared with the effects of TDAE oil (a conventional processing aid).

Comparison of SBR/BR Blend Compound and ESBR Copolymer Having Same Butadiene Contents

  • Hwang, Kiwon;Lee, Jongyeop;Kim, Woong;Ahn, Byungkyu;Mun, Hyunsung;Yu, Eunho;Kim, Donghyuk;Ryu, Gyeongchan;Kim, Wonho
    • Elastomers and Composites
    • /
    • v.54 no.1
    • /
    • pp.54-60
    • /
    • 2019
  • The rapid development of the automobile industry is an important factor that led to the dramatic development of synthetic rubber. The tread part of tire that comes in direct contact with the road surface is related to the service life of the tire. Rubber compounds used in tire treads are often blended with SBR (styrene-butadiene rubber) and BR (butadiene rubber) to satisfy physical property requirements. However, when two or more kinds of rubber are blended, phase separation and silica dispersion problems may occur due to non-uniform mixing of the rubber. Therefore, in this study, we synthesized an SBR copolymer with the same composition as that of a typical SBR/BR blend compound by controlling butadiene content during ESBR (emulsion styrene-butadiene rubber) synthesis. Subsequently, silica filled compounds were manufactured using the synthesized ESBR, and their mechanical properties, dynamic viscoelasticity, and crosslinking density were compared with those of the SBR/BR blended compound. When the content of butadiene was increased in the silica filled compound, the cure rate accelerated due to an increased number of allylic positions, which typically exhibit higher reactivity. However, the T-2 compound with increased butadiene content by synthesis less likely to show an increase in crosslink density due to poor silica dispersion. In addition, the T-3 compound containing high cis BR content showed high crosslink density due to its monosulfide crosslinking structure. Because of the phase separation, SBR/BR blend compounds were easily broken and showed similar $M_{100%}$ and $M_{300%}$ values as those of other compounds despite their high crosslink density. However, the developed blend showed excellent abrasion resistance due to the high cis-1,4 butadiene content and low rolling resistance due to the high crosslink density.