The segmental relaxation time data for poly(vinyl acetate), poly(vinyl chloride), and linear and star polystyrene are analyzed using a model-free method to determine how the temperature- and pressure-dependent relaxation times, τ, scale with the relative configurational thermodynamic properties. The model-free method assumes no specific mathematical form, such as reciprocal linearity, and the configurational properties are referred to an isochronal state to eliminate the bias associated with the definition of the ideal glassy state. The scaling ability of a given configurational property is strongly material-dependent with the logarithm of τ scaling better with TS and H for poly(vinyl acetate), with TS, H, and U for poly(vinyl chloride), and with TS, H, and V for linear and star polystyrene. The choice of the isochronal reference state does not qualitatively affect the results.

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.5131623DOI Listing

Publication Analysis

Top Keywords

configurational properties
8
temperature- pressure-dependent
8
segmental relaxation
8
relaxation times
8
polyvinyl acetate
8
acetate polyvinyl
8
polyvinyl chloride
8
chloride linear
8
linear star
8
star polystyrene
8

Similar Publications

Training accurate machine learning potentials requires electronic structure data comprehensively covering the configurational space of the system of interest. As the construction of this data is computationally demanding, many schemes for identifying the most important structures have been proposed. Here, we compare the performance of high-dimensional neural network potentials (HDNNPs) for quantum liquid water at ambient conditions trained to data sets constructed using random sampling as well as various flavors of active learning based on query by committee.

View Article and Find Full Text PDF

High-level multireference configuration interaction plus Davidson correction (MRCI + Q) calculation method was employed to determine the potential energy curves (PECs) of 10 Λ-S states, which come from the first and second dissociation channels of the SbP molecule, as well as 34 Ω states considering the spin-orbit coupling (SOC) effect. By solving the Schrödinger equation for nuclear motion, spectroscopic constants for the ground state XΣ and low-lying excited states were obtained and compared with experimental data. The excellent agreement indicates the reliability of our calculations.

View Article and Find Full Text PDF

The synthesis, structure, and circularly polarized luminescence (CPL) properties of axially chiral boron difluoride complexes are described. A series of optically pure bis (boron difluoride) complexes were prepared in 5 steps from commercially available (S)- or (R)-BINOL as starting materials. The complexes were found to exhibit similar yellow photoluminescence in solution, regardless of the type of substituents on the nitrogen atoms.

View Article and Find Full Text PDF

This study extends previous research, particularly focusing on patented scientific objects No. ID: PL 240 353 B1, investigating the physicochemical properties of the methyl 3-azido- and 3-amino-2,3-dideoxysaccharides with a nucleoside scaffold similar to 3'-azidothymidine (AZT). The study utilizes multiwavelength spectrophotometric and potentiometric methods to evaluate the ionization of the saccharide units in aqueous solutions.

View Article and Find Full Text PDF

In this work, Ge vacancies and doping with transition metals (Mn and Fe) are proposed to modulate the electronic and magnetic properties of GeP monolayers. A pristine GeP monolayer is a non-magnetic two-dimensional (2D) material, exhibiting indirect gap semiconductor behavior with an energy gap of 1.34(2.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!