Search results for "Butadiene"

Towards an accurate molecular orbital theory for excited states : Ethene, butadiene, and hexatriene

1993

A newly proposed quantum chemical approach for ab initio calculations of electronic spectra of molecular systems is applied to the molecules ethene, trans‐1,3‐butadiene, and trans‐trans‐1,3,5‐hexatriene. The method has the aim of being accurate to better than 0.5 eV for excitation energies and is expected to provide structural and physical data for the excited states with good reliability. The approach is based on the complete active space (CAS) SCF method, which gives a proper description of the major features in the electronic structure of the excited state, independent of its complexity, accounts for all near degeneracy effects, and includes full orbital relaxation. Remaining dynamic ele…

Liquid/Gas and Liquid/Liquid Phase Behavior of n-Butane/1,4-Polybutadiene versus n-Butane/1,2-Polybutadiene

2005

Solutions of 1,4-polybutadiene (1,4-PB, 98% cis) and of 1,2-polybutadiene (1,2-PB) in n-butane (n-C 4 ) were studied with respect to their vapor pressure and to their demixing into two liquid phases under isochoric conditions within the temperature range from 25 to 75 °C. 1,2-PB mixes homogeneously with n-C 4 at any ratio, in contrast to 1,4-PB, which exhibits a miscibility gap extending from practically pure solvent to approximately 40 wt % polymer. Corresponding to these solubility differences, the vapor pressures for the system n-C 4 /1,4-PB are considerably higher than for n-C 4 /1,2-PB at the same concentration and temperature. The experimental results are modeled accurately and consis…

1993

4-(4-Carboxyphenyl)-3,5-dioxo-1,2,4-triazolidin-1-yl moieties resulting from 4-(3,5-dioxo-1,2,4-triazolin-4-yl)benzoic acid (U4A) randomly attached to 1,4-polybutadiene form supramolecular aggregates which act as effective junction zones in new thermoplastic elastomers. Deuteron nuclear magnetic resonance (2H NMR) spectroscopy was used to investigate the molecular dynamics of the polymer backbone and the junction zones in selectively labelled samples. The spectra show motional heterogeneity along the polymer chain as well as in the supramolecular domains. Polybutadiene segments which are adjacent to these polar clusters are restricted in their mobility, even at temperatures 100 K above the …

Effect of ageing on the morphology and creep and recovery of polymer-modified bitumens

2018

Polymer additives are used to improve the properties of road bitumens including their oxidative resistance. However, their usage as anti-oxidative materials remains relatively unclear. This study aims to investigate the changes in the morphology and the rheological response of polymer modified bitumens used in road pavement construction caused by ageing. An elastomer (radial styrene butadiene styrene, SBS) and a plastomer (ethyl vinyl acetate, EVA) polymer were mixed with one base bitumen at three polymer concentrations. The bitumens were RTFO and PAV aged. The morphology of the bitumens was captured by fluorescence microscopy while the rheological properties were measured by means of the m…

Infrared spectroscopy on new multiphase thermoplastic elastomers based on hydrogen bond complexes - temperature dependence and orientation behaviour

1991

The structure and deformation behaviour of a new class of thermoplastic elastomers is studied by temperature dependent infrared (IR) spectroscopy and by IR - dichroism spectroscopy. The thermoplastic elastomer is based on polybutadiene with statistically distributed side groups which form an anisotropic supramolecular structure via hydrogen bonds. Changes in the IR spectra at elevated temperatures are related to the melting of the ordered structure. The uniaxial deformation behaviour is studied by linear dichroism Fourier-transform (FT)-IR spectroscopy. A deformation model is developed which accounts for the major experimental results: while the polybutadiene segments behave as flexible cha…

New amphiphilic poly(butadiene)-graft-poly(ethylene oxide)s

1995

Amphiphilic graft copolymers with a poly(butadiene) backbone and poly(ethylene oxide) side chains were synthesized by grafting isocyanateterminated poly(ethylene oxide) on to partially hydroxylated poly(butadiene). The graft copolymers are water soluble if the fraction of hydrophilic poly(ethylene oxide) exceeds 50 wt%. Solutions of graft copolymers in water and tetrahydrofuran were studied by static light scattering and viscosity measurements. By dynamic light scattering in solution it was shown that the graft copolymers form clusters.

NEXT-100 Technical Design Report (TDR). Executive summary

2012

[EN] In this Technical Design Report (TDR) we describe the NEXT-100 detector that will search for neutrinoless double beta decay (ßß0v) in 136XE at the Laboratorio Subterráneo de Canfranc (LSC), in Spain. The document formalizes the design presented in our Conceptual Design Report (CDR): an electroluminescence time projection chamber, with separate readout planes for calorimetry and tracking, located, respectively, behind cathode and anode. The detector is designed to hold a maximum of about 150 kg of xenon at 15 bar, or 100 kg at 10 bar. This option builds in the capability to increase the total isotope mass by 50% while keeping the operating pressure at a manageable level. The readout pla…

Transition to Reinforced State by Percolating Domains of Intercalated Brush-Modified Cellulose Nanocrystals and Poly(butadiene) in Cross-Linked Compo…

2013

The classic nanocomposite approach aims at percolation of low fraction of exfoliated individual reinforcing nanoscale elements within a polymeric matrix. By contrast, many of the mechanically excellent biological nanocomposites involve self-assembled and space-filled structures of hard reinforcing and soft toughening domains, with high weight fraction of reinforcements. Here we inspect a new concept toward mimicking such structures by studying whether percolation of intercalated domains consisting of alternating rigid and reinforcing, and soft rubbery domains could allow a transition to a reinforced state. Toward that, we present the functionalization of rigid native cellulose nanocrystals …

Design and characterization of the SiPM tracking system of NEXT-DEMO, a demonstrator prototype of the NEXT-100 experiment

2013

NEXT-100 experiment aims at searching the neutrinoless double-beta decay of the Xe-136 isotope using a TPC filled with a 100 kg of high-pressure gaseous xenon, with 90% isotopic enrichment. The experiment will take place at the Laboratorio Subterraneo de Canfranc (LSC), Spain. NEXT-100 uses electroluminescence (EL) technology for energy measurement with a resolution better than 1% FWHM. The gaseous xenon in the TPC additionally allows the tracks of the two beta particles to be recorded, which are expected to have a length of up to 30 cm at 10 bar pressure. The ability to record the topological signature of the beta beta 0 nu events provides a powerful background rejection factor for the bet…

A model for polybutadiene coatings on porous silica

1993

Non-wetting viscous liquids such as oligobutadiene prefer “active” sites such as pores during the process of physisorption. Thus, polybutadiene (PBD) coatings on porous silica do not result in a homogeneous polymer film but in an inhomogeneous loading where the bulk polymer is mainly sited in the pores of the silica. An increasing polymer loading leads to increasingly filled pores instead of a thicker polymer film. We cannot exclude the possibility that most of the surface is covered at least with a thin polymer film since the chromatographic behaviour is relatively good for polypeptides, which are highly susceptible to the silanol groups of silica.