scholarly journals Physical Meanings of Fractal Behaviors of Water in Aqueous and Biological Systems with Open-Ended Coaxial Electrodes

Sensors ◽  
2019 ◽  
Vol 19 (11) ◽  
pp. 2606
Author(s):  
Shin Yagihara ◽  
Rio Kita ◽  
Naoki Shinyashiki ◽  
Hironobu Saito ◽  
Yuko Maruyama ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Relaxation Time ◽  
Relaxation Process ◽  
Fractal Analysis ◽  
Biological Systems ◽  
Polymer Networks ◽  
Dispersion Systems ◽  
Dispersion State ◽  
Frequency Relaxation ◽  
Average Relaxation Time

The dynamics of a hydrogen bonding network (HBN) relating to macroscopic properties of hydrogen bonding liquids were observed as a significant relaxation process by dielectric spectroscopy measurements. In the cases of water and water rich mixtures including biological systems, a GHz frequency relaxation process appearing at around 20 GHz with the relaxation time of 8.2 ps is generally observed at 25 °C. The GHz frequency process can be explained as a rate process of exchanges in hydrogen bond (HB) and the rate becomes higher with increasing HB density. In the present work, this study analyzed the GHz frequency process observed by suitable open-ended coaxial electrodes, and physical meanings of the fractal nature of water structures were clarified in various aqueous systems. Dynamic behaviors of HBN were characterized by a combination of the average relaxation time and the distribution of the relaxation time. This fractal analysis offered an available approach to both solution and dispersion systems with characterization of the aggregation or dispersion state of water molecules. In the case of polymer-water mixtures, the HBN and polymer networks penetrate each other, however, the HBN were segmented and isolated more by dispersed and aggregated particles in the case of dispersion systems. These HBN fragments were characterized by smaller values of the fractal dimension obtained from the fractal analysis. Some examples of actual usages suggest that the fractal analysis is now one of the most effective tools to understand the molecular mechanism of HBN in aqueous complex materials including biological systems.

Investigating the dielectric properties and low-frequency relaxation process of TlGaSe2 crystals

2017 ◽  
Vol 31 (12) ◽  
pp. 1750134 ◽  
Author(s):  
Oktay Samadov ◽  
Oktay Alakbarov ◽  
Arzu Najafov ◽  
Samir Samadov ◽  
Nizami Mehdiyev ◽  
...  
Keyword(s):  
Electrical Conductivity ◽  
Relaxation Time ◽  
Constant Electric Field ◽  
Low Frequency ◽  
Constant Field ◽  
Impedance Spectra ◽  
Ionic Contribution ◽  
Frequency Relaxation ◽  
Average Relaxation Time ◽  
Diagram Analysis

The dielectric and impedance spectra of TlGaSe2 crystals have been studied at temperatures in the 100–500 K range in the alternating current (AC [Formula: see text]1 V). It has been shown that the conductivity of TlGaSe2 crystals is mainly an ionic characteristic at temperatures above 400 K. The well-defined peak at the frequency dependence of the imaginary part of impedance [Formula: see text] is observed in the 215–500 K temperature range. In a constant field, there occurs a significant decrease in electrical conductivity [Formula: see text] in due course. The ionic contribution to conductivity (76% at [Formula: see text]) has been estimated from a kinetic change in electrical conductivity [Formula: see text] under the influence of a constant electric field. The diagram analysis in a complex plane [Formula: see text] has been conducted by applying the method of an equivalent circuit of the substation. It has been determined that the average relaxation time of the electric module of the sample is [Formula: see text].

Hydrogen Bonding: From Biological Systems To Interstellar Medium

2018 ◽  
Author(s):  
Emmanuel E. Etim ◽  
Prasanta Gorai ◽  
Ankan Das ◽  
Sandip K. Chakrabarti ◽  
Elangannan Arunan
Keyword(s):  
Hydrogen Bonding ◽  
Interstellar Medium ◽  
Biological Systems

CAN SEMIEMPIRICAL QUANTUM MODELS CALCULATE THE BINDING ENERGY OF HYDROGEN BONDING FOR BIOLOGICAL SYSTEMS?

2009 ◽  
Vol 08 (04) ◽  
pp. 691-711 ◽  
Author(s):  
FENG FENG ◽  
HUAN WANG ◽  
WEI-HAI FANG ◽  
JIAN-GUO YU
Keyword(s):  
Hydrogen Bonding ◽  
Amino Acid ◽  
Amino Acid Residue ◽  
Density Functional ◽  
Biological Systems ◽  
Binding Energies ◽  
Semiempirical Model ◽  
Hydrogen Bonded Systems ◽  
High Level ◽  
Hydrogen Bonded

A modified semiempirical model named RM1BH, which is based on RM1 parameterizations, is proposed to simulate varied biological hydrogen-bonded systems. The RM1BH is formulated by adding Gaussian functions to the core–core repulsion items in original RM1 formula to reproduce the binding energies of hydrogen bonding of experimental and high-level computational results. In the parameterizations of our new model, 35 base-pair dimers, 18 amino acid residue dimers, 14 dimers between a base and an amino acid residue, and 20 other multimers were included. The results performed with RM1BH were compared with experimental values and the benchmark density-functional (B3LYP/6-31G**/BSSE) and Möller–Plesset perturbation (MP2/6-31G**/BSSE) calculations on various biological hydrogen-bonded systems. It was demonstrated that RM1BH model outperforms the PM3 and RM1 models in the calculations of the binding energies of biological hydrogen-bonded systems by very close agreement with the values of both high-level calculations and experiments. These results provide insight into the ideas, methods, and views of semiempirical modifications to investigate the weak interactions of biological systems.

scholarly journals Thermodynamic Analysis of Relaxation Model for Non-Equilibrium Phase Behavior of Hydrocarbon Mixtures

2021 ◽  
Vol 2090 (1) ◽  
pp. 012138
Author(s):  
I M Indrupskiy ◽  
P A Chageeva
Keyword(s):  
Relaxation Time ◽  
Phase Behavior ◽  
Relaxation Process ◽  
Thermodynamic Analysis ◽  
Balance Equation ◽  
Equilibrium Phase ◽  
Characteristic Relaxation Time ◽  
Relaxation Model ◽  
Entropy Balance ◽  
Non Equilibrium

Abstract Mathematical models of phase behavior are widely used to describe multiphase oil and gas-condensate systems during hydrocarbon recovery from natural petroleum reservoirs. Previously a non-equilibrium phase behavior model was proposed as an extension over generally adopted equilibrium models. It is based on relaxation of component chemical potentials difference between phases and provides accurate calculations in some typical situations when non-instantaneous changing of phase fractions and compositions in response to variations of pressure or total composition is to be considered. In this paper we present a thermodynamic analysis of the relaxation model. General equations of non-equilibrium thermodynamics for multiphase flows in porous media are considered, and reduced entropy balance equation for the relaxation process is obtained. Isotropic relaxation process is simulated for a real multicomponent hydrocarbon system with different values of characteristic relaxation time using the non-equilibrium model implemented in the PVT Designer module of the RFD tNavigator simulation software. The results are processed with a special algorithm implemented in Matlab to calculate graphs of the total entropy time derivative and its constituents in the entropy balance equation. It is shown that the constituents have different signs, and the greatest influence on the entropy is associated with the interphase flow of the major component of the mixture and the change of the total system volume in the isotropic process. The characteristic relaxation time affects the rate at which the entropy is approaching its maximum value.

Construction and morphology of non-covalently double-crosslinked supramolecular polymer networks

2019 ◽  
Vol 10 (34) ◽  
pp. 4740-4745 ◽  
Author(s):  
Senbin Chen ◽  
Ke Wang ◽  
Zhen Geng ◽  
Yu Chen ◽  
Xihuang Zheng ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Polymer Networks ◽  
Functionalized Polymers ◽  
Metal Coordination ◽  
Supramolecular Polymer ◽  
Supramolecular Networks

A straightforward synthesis of α-Ba, ω-TAP functionalized polymers, Ba-PnBuA-TAP, is reported, leading to the formation of double-crosslinked supramolecular networks driven via the sequential hydrogen-bonding association and metal-coordination.

scholarly journals Molecular Association of Tetramethylurea and Chlorobenzene Molecules in Microwave Frequency Range

2010 ◽  
Vol 65 (10) ◽  
pp. 854-858
Author(s):  
Vimal Sharma ◽  
Nagesh Thakur
Keyword(s):  
Relaxation Time ◽  
Dielectric Relaxation ◽  
Viscous Flow ◽  
Relaxation Process ◽  
Binary Mixtures ◽  
Variation Method ◽  
Dielectric Relaxation Time ◽  
Flow Process ◽  
Dielectric Relaxation Process ◽  
Energy Parameters

The dielectric constant ε´ and dielectric loss ε´´ of the binary mixtures of tetramethylurea (TMU) and chlorobenzene (CB) have been calculated at 9.883 GHz by using standard standing microwave techniques. Gopalakrishna’s single frequency concentration variation method has been used to calculate dipole moment μ and dielectric relaxation time τ for different mole fractions of TMU in the binary mixture at different temperatures of 25 °C, 30 °C, 35 °C, and 40 °C. The variation of dielectric relaxation time with the mole fraction of TMU in the whole concentration range of the binary mixtures was found to be non-monotonic. The solute-solute and solute-solvent type of molecular associations may be proposed based upon above observations. Using Eyring rate equations the energy parameters ΔH, ΔF, and ΔS for the dielectric relaxation process and the viscous flow process have been calculated at the given temperatures. It is found from the comparison of energy parameters that, just like the viscous flow process, the dielectric relaxation process can also be treated as a rate process.

Sign in / Sign up

Export Citation Format

Share Document