Modeling of sensor properties for reducing gases and charge distribution in nanostructured oxides: A comparison of theory with experimental data

2019 ◽  
Vol 287 ◽  
pp. 218-224 ◽  
Author(s):  
V.L. Bodneva ◽  
O.J. Ilegbusi ◽  
M.A. Kozhushner ◽  
K.S. Kurmangaleev ◽  
V.S. Posvyanskii ◽  
...  
Keyword(s):  
Experimental Data ◽  
Charge Distribution ◽  
Nanostructured Oxides ◽  
Sensor Properties ◽  
Reducing Gases

Sensor properties of the nanostructured In2O3-CeO2 system in detection of reducing gases

2014 ◽  
Vol 88 (3) ◽  
pp. 503-508 ◽  
Author(s):  
G. N. Gerasimov ◽  
V. F. Gromov ◽  
L. I. Trakhtenberg ◽  
T. V. Belysheva ◽  
E. Yu. Spiridonova ◽  
...  
Keyword(s):  
Sensor Properties ◽  
Reducing Gases

scholarly journals d∗(2380) Resonance in a Chiral SU(3) Constituent Quark Model

2018 ◽  
Vol 46 ◽  
pp. 1860034
Author(s):  
Yubing Dong ◽  
Pengnian Shen ◽  
Fei Huang ◽  
Zongye Zhang
Keyword(s):  
Experimental Data ◽  
Quark Model ◽  
Charge Distribution ◽  
Constituent Quark ◽  
Constituent Quark Model ◽  
Total Width ◽  
Compact Structure ◽  
Decay Modes ◽  
Decay Widths

Recent studies on the newly observed resonance [Formula: see text] with a compact structure in a chiral SU(3) constituent quark model are briefly reported. the overall properties, including the mass, the partial decay widths in various decay modes, and the total width, comparing with the experimental data, show that a compact hexaquark dominated structure might be a reasonable interpretation for this state. Moreover, the charge distribution of [Formula: see text] is also discussed.

scholarly journals Charge/mass yields in the fission of highly excited heavy actinides

2018 ◽  
Vol 194 ◽  
pp. 06004
Author(s):  
H. Paşca ◽  
A.V. Andreev ◽  
G.G. Adamian ◽  
N.V. Antonenko
Keyword(s):  
Experimental Data ◽  
Excitation Energy ◽  
Charge Distribution ◽  
High Energy ◽  
Mass Yield ◽  
Charge Mass ◽  
Scission Point ◽  
Mass Distributions ◽  
Fission Fragments ◽  
Critical Excitation

The charge (mass) distributions of fission fragments resulting from low- and high-energy fission of the isotopes of Fm and No are studied with the statistical scission-point fission model. The calculated results are compared with the available experimental data. The transformation of the shape of the charge distribution with increasing isospin and excitation energy occurs gradually. At some critical excitation energy the the saturation of the symmetric component of the charge (mass) yield is demonstrated.

MÖSSBAUER QUADRUPOLE SPLITTING of Fe2+ in NH4CoCl3 UNDER ORBIT–LATTICE INTERACTION

2001 ◽  
Vol 15 (32) ◽  
pp. 4223-4229
Author(s):  
T. P. SINHA
Keyword(s):  
Experimental Data ◽  
Temperature Dependence ◽  
Quadrupole Splitting ◽  
Charge Distribution ◽  
Vibronic Coupling ◽  
Electronic Charge ◽  
Thermal Modulation ◽  
Electronic Charge Distribution ◽  
Dynamical Parameters ◽  
Good Agreement

The effect of orbit–lattice interaction (vibronic coupling) has been considered to explain the observed temperature dependence of Mössbauer quadrupole splitting of Fe2+ ions in NH4CoCl3 over 27 to 250 K. The orbit–lattice interaction accounts for the thermal modulation of the electronic charge distribution of Fe2+ due to vibration of the surrounding ligands. The various lattice dynamical parameters are estimated and then quadrupole splitting is explicitly calculated as a function of temperature. One obtains a reasonably good agreement with the experimental data which shows that the vibronic coupling is quite realistic and important.

A Unified Interpretation of Mass and Charge Distribution and Prompt Neutron Evaporation in Low-Energy Nuclear Fission

1969 ◽  
Vol 24 (12) ◽  
pp. 2000-2003 ◽  
Author(s):  
H. O . Denschlag ◽  
S. M. Qaim
Keyword(s):  
Experimental Data ◽  
Simple Model ◽  
Transition State ◽  
Charge Distribution ◽  
Nuclear Fission ◽  
Low Energy ◽  
Prompt Neutron ◽  
Neutron Evaporation ◽  
State Configuration

AbstractA simple model for a transition state configuration in low-energy fission is given. In its light the latest experimental data on mass and charge distribution and on prompt neutron evaporation are discussed.

Nuclear charge dispersion in the fission of 232Th by protons of energy 20–85 MeV

1969 ◽  
Vol 47 (2) ◽  
pp. 301-312 ◽  
Author(s):  
P. P. Benjamin ◽  
D. A. Marsden ◽  
N. T. Porile ◽  
L. Yaffe
Keyword(s):  
Experimental Data ◽  
Charge Distribution ◽  
Fission Fragment ◽  
Mass Number ◽  
Nuclear Charge ◽  
Dispersion Curves ◽  
Charge Displacement

232Th was irradiated with protons of energy 20–85 MeV and the independent yields of 130Cs, 132Cs, 134Csm, 134Csg, 136Cs, 138Cs, 86Rb, and the cumulative yields of 137Cs and 138Xe were measured radio-chemically. Charge dispersion curves were constructed at various energies and, as in previous studies, the broadening with increasing energy and shift of the most probable charge towards stability were observed. The most probable charge of a fission fragment of a given mass number lies closer to the line of β-stability in the case of thorium fission than in uranium. Detailed calculations in an attempt to correlate the experimental data with equal charge displacement (e.c.d.) and unchanged charge displacement (u.c.d.) charge distribution postulates were attempted. The results are not conclusive, lying in between the two, but favoring u.c.d. at the higher energies.

MINDO/3 Investigation of the Structure of the Intramolecularly Hydrogen Bonded Enol Forms of 2 -Trifluoroacetylcycloalkanones

1989 ◽  
Vol 44 (3) ◽  
pp. 239-242 ◽  
Author(s):  
K. A. K. Ebraheem ◽  
S. T. Hamdi ◽  
A. R. Al-Derzi
Keyword(s):  
Experimental Data ◽  
Hydrogen Bond ◽  
Charge Distribution ◽  
Chelate Ring ◽  
Geometry Optimization ◽  
Mo Calculations ◽  
Full Geometry Optimization ◽  
Geometrical Features ◽  
Intramolecular Hydrogen ◽  
Hydrogen Bonded

MINDO/3 SCF-MO calculations with full geometry optimization were performed to determine the structure of the intramolecularly hydrogen bonded enol forms of 2-trifluoroacetylcycloalkanones. The presence of two stable exocyclic and endocyclic enol forms with a non-planar unsymmetric hydrogen bonded chelate ring is established. It is found that the intramolecular hydrogen bond is weaker in the exocyclic enol of 2-trifluoroacetylcyclopentanone, which showed greater deviation from planarity by ~23.8°. The geometrical features predicted by the MINDO/3 method and the calculated charge distribution are discussed and found to agree with the available experimental data on these systems. The merits and limitations of the MINDO/3 method are discussed.

scholarly journals Fluoro-Substituted Metal Phthalocyanines for Active Layers of Chemical Sensors

Chemosensors ◽  
2021 ◽  
Vol 9 (6) ◽  
pp. 133
Author(s):  
Darya Klyamer ◽  
Dmitry Bonegardt ◽  
Tamara Basova
Keyword(s):  
Gas Sensors ◽  
Quartz Crystal ◽  
Central Metal ◽  
Metal Phthalocyanines ◽  
Active Layers ◽  
Long Time ◽  
Sensor Properties ◽  
State Of Research ◽  
Primary Focus ◽  
Reducing Gases

Metal phthalocyanines bearing electron-withdrawing fluorine substituents were synthesized a long time ago, but interest in the study of their films has emerged in recent decades. This is due to the fact that, unlike unsubstituted phthalocyanines, films of some fluorinated phthalocyanines exhibit the properties of n-type semiconductors, which makes them promising candidates for application in ambipolar transistors. Apart from this, it was shown that the introduction of fluorine substituents led to an increase in the sensitivity of phthalocyanine films to reducing gases. This review analyzes the state of research over the last fifteen years in the field of applications of fluoro-substituted metal phthalocyanines as active layers of gas sensors, with a primary focus on chemiresistive ones. The active layers on the basis of phthalocyanines with fluorine and fluorine-containing substituents of optical and quartz crystal microbalance sensors are also considered. Attention is paid to the analysis of the effect of molecular structure (central metal, number and type of fluorine substituent etc.) on sensor properties of fluorinated phthalocyanine films.

Metal Oxides Interaction with Reducing Gas in Bubble Ore Melt

2008 ◽  
Vol 273-276 ◽  
pp. 176-180
Author(s):  
A.N. Dmitriev ◽  
D.Z. Kudinov ◽  
L.I. Leontiev
Keyword(s):  
Experimental Data ◽  
Mathematical Model ◽  
Multicomponent Oxide ◽  
Oxide Melt ◽  
Reducing Gas ◽  
Reducing Gases ◽  
The Mathematical Model ◽  
Kinetics Of ◽  
Kinetics Of Reduction ◽  
Oxide Melts

The mathematical model which allows us to describe, with the help of calculations of thermodynamic balance, the kinetics of barbotage of oxide melt by various reducing gases is offered. The algorithm of calculation is developed. The model is tested on system NiO-FeO-Al2O3-SiO2-CaO-Mg-COCO2. The comparative analysis of computation and experimental data has shown that the offered model can be used in the qualitative analysis of processes of interaction of multicomponent oxide melts with gasesreducers of various composition. The calculations describing the kinetics of reduction of nickel oxide by hydrogen in system NiO-CaO-B2O3 in an interval of temperatures 1473-1973 K are carried out.

Study of charge transfer in FeTi

1983 ◽  
Vol 41 ◽  
pp. 296-297
Author(s):  
J. Taft∅
Keyword(s):  
Charge Transfer ◽  
Charge Distribution ◽  
Electron Scattering ◽  
Periodic System ◽  
Electron Distribution ◽  
Scattering Amplitude ◽  
Transition Elements ◽  
Hartree Fock ◽  
Cscl Structure ◽  
The Right

It is well known that for reflections corresponding to large interplanar spacings (i.e., sin θ/λ small), the electron scattering amplitude, f, is sensitive to the ionicity and to the charge distribution around the atoms. We have used this in order to obtain information about the charge distribution in FeTi, which is a candidate for storage of hydrogen. Our goal is to study the changes in electron distribution in the presence of hydrogen, and also the ionicity of hydrogen in metals, but so far our study has been limited to pure FeTi. FeTi has the CsCl structure and thus Fe and Ti scatter with a phase difference of π into the 100-ref lections. Because Fe (Z = 26) is higher in the periodic system than Ti (Z = 22), an immediate “guess” would be that Fe has a larger scattering amplitude than Ti. However, relativistic Hartree-Fock calculations show that the opposite is the case for the 100-reflection. An explanation for this may be sought in the stronger localization of the d-electrons of the first row transition elements when moving to the right in the periodic table. The tabulated difference between fTi (100) and ffe (100) is small, however, and based on the values of the scattering amplitude for isolated atoms, the kinematical intensity of the 100-reflection is only 5.10-4 of the intensity of the 200-reflection.

Sign in / Sign up

Export Citation Format

Share Document