The Baltic Journal of Road and Bridge Engineering, 2022 An effort was made to improve the separation issue of styrene-butadiene-styrene modifiers in styrene-butadiene-styrene-modified asphalt binders and to further enhance their performance by adding nano-ZnO to the styrene-butadiene-styrene-modified asphalt ...
Xiaolong Li +4 more
doaj +1 more source
A Transferable Machine-Learning Model of the Electron Density [PDF]
, 2018 The electronic charge density plays a central role in determining the behavior of matter at the atomic scale, but its computational evaluation requires demanding electronic-structure calculations. We introduce an atom-centered, symmetry-adapted framework
Ceriotti, Michele +5 more
core +3 more sources
Analysis of products from the pyrolysis of plastics recovered from the commercial scale recycling of waste electrical and electronic equipment [PDF]
, 2007 Three plastic fractions from a commercial waste electrical and electronic equipment (WEEE) processing plant were collected and investigated for the possibility of recycling them by batch pyrolysis. The first plastic was from equipment containing cathode
Hall, W.J., Williams, P.T.
core +1 more source
Mechanism, reactivity, and selectivity of nickel-catalyzed [4 + 4 + 2] cycloadditions of dienes and alkynes. [PDF]
, 2014 Density functional theory (DFT) calculations with B3LYP and M06 functionals elucidated the reactivities of alkynes and Z/E selectivity of cyclodecatriene products in the Ni-catalyzed [4 + 4 + 2] cycloadditions of dienes and alkynes.
Baran, Phil S +4 more
core +2 more sources
Perturbatively selected configuration-interaction wave functions for efficient geometry optimization in quantum Monte Carlo [PDF]
, 2018 We investigate the performance of a class of compact and systematically improvable Jastrow-Slater wave functions for the efficient and accurate computation of structural properties, where the determinantal component is expanded with a perturbatively ...
Dash, Monika +3 more
core +7 more sources
Relationships between charge density response functions, exchange holes and localized orbitals [PDF]
, 2015 The charge density response function and the exchange hole are closely related to each other via the fundamental fluctuation-dissipation theorem of physics.
Mussard, Bastien, Ángyán, János G.
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Carcinogenicity of 1,3-Butadiene
Environmental Health Perspectives, 1992 1,3-Butadiene, a high-production volume chemical used largely in the manufacture of synthetic rubber, is a multiple organ carcinogen in rats and mice. In inhalation studies conducted in mice by the National Toxicology Program, high rates of early lethal lymphomas occurring at exposure levels of 625 ppm or higher reduced the development and expression ...
R L, Melnick, C C, Shackelford, J, Huff
openaire +3 more sources
Sensitivity Analysis of 1,3-Butadiene Monitoring Based on Space-Based Detection in the Infrared Band
Remote Sensing, 2022 The monitoring of the Volatile Organic Compounds (VOCs) in the atmosphere is of great significance for reducing chemical pollution, warning of fires, and improving air quality.
Jingyu Bai +6 more
doaj +1 more source
Natural rubber/styrene-butadiene rubber blends prepared by solution mixing: Influence of vulcanization temperature using a Semi-EV sulfur curing system on the microstructural properties [PDF]
, 2017 Blends of natural rubber (NR) and styrene-butadiene rubber (SBR) were prepared by solution mixing and vulcanized with sulfur and accelerator in a Semi-EV system at 433 K and 443 K in order to study the vulcanization kinetic and the influence of ...
Macchi, Carlos Eugenio +3 more
core +1 more source
Тонкие химические технологииObjectives. To develop mathematical approaches and algorithms for analyzing the influence of various methods for feeding a chain transfer agent to a cascade of reactors, taking into account the choice of feed points on the characteristics of the final ...
T. A. Mikhailova, S. A. Mustafina
doaj +1 more source