Activity models in the Na+,Zn2+/Cl-,SO42- reciprocal fused salt system

1976 ◽  
Vol 29 (1) ◽  
pp. 65
Author(s):  
RG Anthony ◽  
H Bloom
Keyword(s):  
Reasonable Agreement ◽  
Solution Model ◽  
Salt System ◽  
Exchange Equilibrium ◽  
Ionic Solution ◽  
Activity Models ◽  
Experimental Values ◽  
Fused Salt

The conformal ionic solution model has been applied to the charge asymmetrical, reciprocal fused salt system: Na+,Znz+/C1-,S042-. This model takes into account binary and ternary type interactions as well as the exchange equilibrium: ZnCl2 + Na2SO4 ↔ ZnSO4 + 2NaCl Calculated ZnCl2 activities are found to be in reasonable agreement with experimental values.

Activities of PbCl2 in the K+, Pb2+/Cl-,SO42- reciprocal molten salt system

1976 ◽  
Vol 29 (9) ◽  
pp. 2069
Author(s):  
RG Anthony ◽  
H Bloom
Keyword(s):  
Molten Salt ◽  
Vapour Pressure ◽  
Reasonable Agreement ◽  
Solution Model ◽  
Salt System ◽  
Ionic Solution ◽  
Pressure Method ◽  
Molten Salt System

Activities of PbCl2 in the molten system K2SO4+PbCl2 have been measured at 1012 K by a transpiration vapour pressure method. Values of PbCl2 activities are calculated from the conformal ionic solution model (CIS), the result being in reasonable agreement with experimentally measured values. Results obtained may therefore be summarized by the CIS equation APbCl2 = xpb(xcl)2exp[0.2405/T)(X?k)2{-3285-X?pb(11564+2032(3X?k-1))}] where Xi, X?t are ion fractions and equivalent ion fractions respectively.

Demixing in the Fused Salt System AgCl/CsNO3/CsCl

1989 ◽  
Vol 161 (Part_1_2) ◽  
pp. 239-243
Author(s):  
Rolf Edelmann ◽  
Konrad G. Weil
Keyword(s):  
Salt System ◽  
Fused Salt

scholarly journals Energetic Self-Folding Mechanism in α-Helixes

2019 ◽  
Author(s):  
Adolfo Bastida ◽  
José Zúñiga ◽  
Alberto Requena ◽  
Javier Cerezo
Keyword(s):  
Molecular Dynamics ◽  
Potential Energy Surfaces ◽  
Reasonable Agreement ◽  
Dihedral Angles ◽  
Native Conformation ◽  
Experimental Values ◽  
Α Helix ◽  
Dynamics Simulations ◽  
Energy Surfaces ◽  
Large Peptide

A novel energetic route driving the folding of a polyalanine peptide from an extended conformation to its α-helix native conformation is described, supported by a new method to compute mean potential energy surfaces accurately in terms of the dihedral angles of the peptide chain from extensive Molecular Dynamics simulations. The Energetic Self-Folding (ESF) route arises specifically from the balance between the intrinsic propensity of alanine residues towards the α<sub>R </sub>conformation and two, opposite, effects: the destabilizing interaction with neighbor residues and the stabilizing formation of native hydrogen bonds, with the latter being dominant for large peptide lengths. The ESF mechanism provides simple but robust support to the nucleation-elongation, or zipper models, and offers a quantitative energetic funnel picture of the folding process. The mechanism is validated by the reasonable agreement between the computed folding energies and the experimental values.

Organic synthesis using fused salt system. Preparation of a polytriphenylene

1966 ◽  
pp. 53
Author(s):  
G. K. Ostrum ◽  
D. D. Lawson ◽  
R. F. Landel ◽  
J. D. Ingham
Keyword(s):  
Organic Synthesis ◽  
Salt System ◽  
Fused Salt

The Influence of Thermodynamic Properties of Alloys on Effective Interdiffusion Coefficients in Ternary Systems

2007 ◽  
Vol 263 ◽  
pp. 141-146 ◽  
Author(s):  
Ü. Ugaste ◽  
Tony Laas ◽  
T. Škled-Gorbatšova
Keyword(s):  
Thermodynamic Properties ◽  
Diffusion Coefficients ◽  
Reasonable Agreement ◽  
Ternary Systems ◽  
Tracer Diffusion ◽  
Diffusion Couples ◽  
Experimental Values ◽  
Tracer Diffusion Coefficients ◽  
Interdiffusion Coefficients ◽  
The Relationship

To prove the validity of Dayananda’s phenomenological model of interdiffusion in ternary systems the effective interdiffusion coefficients for a few diffusion couples in the system Cu-Ni-Fe, annealed at 1000 oC, are calculated on the basis of this model using available tracer diffusion and thermodynamic data. It is found that the calculated values of effective interdiffusion coefficients are in reasonable agreement with experimental values extracted independently from experimental concentration--penetration curves. Using the relationship between effective interdiffusion coefficients, tracer diffusion coefficients and thermodynamic factors, it is shown that thermodynamic properties of alloys play a significant role in interdiffusion processes in the system Cu-Fe-Ni.

Rates of detritiation of the strychninesulfonic acids at the 11-position in alkaline solution

1984 ◽  
Vol 62 (11) ◽  
pp. 2448-2450 ◽  
Author(s):  
John T. Edward ◽  
Sin Cheong Wong ◽  
A. J. Kresge ◽  
M. F. Powell
Keyword(s):  
Ionic Strength ◽  
Sodium Hydroxide ◽  
Alkaline Solution ◽  
Reasonable Agreement ◽  
Sulfonate Group ◽  
Experimental Values

Tritium was incorporated into the 11-position of strychnine, and of strychninesulfonic acids-I, -II, and -III, and the rate of detritiation from the four compounds in 0.5 M sodium hydroxide at 25 °C was measured. Rates were reduced by the negative sulfonate groups, the extent of reduction varying inversely with the distance of the sulfonate group from the negative oxygen of the enolate intermediate. Experimental rates were in reasonable agreement with values expected at zero ionic strength from the Kirkwood–Westheimer equation. The problem of correcting experimental values for the effect of ionic strength is discussed.

Theoretical Investigations of the EPR Parameters of Ti3+ in Beryl Crystal

2006 ◽  
Vol 61 (5-6) ◽  
pp. 286-288 ◽  
Author(s):  
Wen-Chen Zheng ◽  
Qing Zhou ◽  
Xiao-Xuan Wu ◽  
Yang Mei
Keyword(s):  
Hyperfine Structure ◽  
Reasonable Agreement ◽  
Lattice Relaxation ◽  
Superposition Model ◽  
Theoretical Investigations ◽  
Local Lattice ◽  
Epr Parameters ◽  
Structure Constants ◽  
Experimental Values ◽  
Crystal Field Parameters

The EPR parameters (g factors gII, g⊥ and hyperfine structure constants AII, A⊥) of Ti3+ ion at the sixfold coordinated Al3+ site with trigonal symmetry in beryl crystal are calculated by the thirdorder perturbation formulas of 3d1 ions in a trigonal octahedron. In the calculations, the crystal-field parameters are obtained by the superposition model, and the impurity-induced local lattice relaxation (which is similar to that found for Fe3+ in beryl) is considered. The calculated EPR parameters (and also the optical spectra) are in reasonable agreement with the experimental values

Calculation of Effect of Viscous and Pressure Forces on Trimming Moments

2014 ◽  
Vol 590 ◽  
pp. 42-47
Author(s):  
Salma Sherbaz ◽  
Wen Yang Duan
Keyword(s):  
Computational Methods ◽  
Reasonable Agreement ◽  
Volume Of Fluid ◽  
Wave Profile ◽  
Computational Domain ◽  
Implicit Methods ◽  
Ansys Fluent ◽  
Hull Form ◽  
Experimental Values

In this study the effects of viscous and pressure forces on trimming moments of Series 60 (CB = 0.6) hull form are calculated at different Froude numbers by employing computational methods. The grid generator GAMBIT was used for meshing hull and computational domain. The Simulations are carried out using commercial CFD code ANSYS Fluent 13. The SIMPLE (Semi-Implicit Methods for Pressure-Linked Equations) algorithm is used for pressure-velocity coupling. The volume of Fluid (VOF) formulation is employed. The computed resistance, wave profile and trim of series 60 hull are compared with experimental values and found in reasonable agreement.

TEMPERATURE INDEPENDENT FACTORS OF HYDROGEN ABSTRACTION REACTIONS IN THE GAS PHASE

1952 ◽  
Vol 30 (10) ◽  
pp. 773-778 ◽  
Author(s):  
S. Bywater ◽  
R. Roberts
Keyword(s):  
Gas Phase ◽  
Reasonable Agreement ◽  
Reaction Rate ◽  
Hydrogen Abstraction ◽  
Rate Theory ◽  
Absolute Reaction Rate Theory ◽  
Reaction Rate Theory ◽  
Absolute Reaction Rate ◽  
Experimental Values ◽  
Absolute Reaction

Temperature independent factors for a series of hydrogen abstraction reactions in the gas phase have been calculated using the absolute reaction rate theory of Eyring and co-workers. The calculated values have been compared with experimental values wherever possible. Reasonable agreement is obtained. The factors producing variations have been examined and the sources of error in this type of calculation are discussed.

scholarly journals Theoretical assessment on hetero-coordination of Alloys Silver-Antimony at Molten State

2020 ◽  
pp. 68-73
Author(s):  
Narayan Panthi ◽  
Indra Bahadur Bhandari ◽  
Ishwar Koirala
Keyword(s):  
Reasonable Agreement ◽  
Chemical Activity ◽  
Heat Of Mixing ◽  
Thermodynamic Quantities ◽  
Molten State ◽  
Energy Of Mixing ◽  
Interchange Energy ◽  
Free Energy Of Mixing ◽  
Experimental Values ◽  
Theoretical Assessment

The thermodynamic and structural properties of binary alloy Ag- Sb at temperature 1250K have been reported theoretically using quasi lattice model. The interchange energy has been considered a function of a temperature and thus various thermodynamic quantities are calculated at elevated temperature. The theoretical values of free energy of mixing, heat of mixing, entropy of mixing and chemical activity are reasonable agreement with experimental values in all concentrations of antimony from 0.1 to 0.9. The theoretical analysis tells that the alloy shows both ordering nature in Ag rich end and segregating nature in Sb rich end .The study reveals that the properties of alloy are asymmetric around equi-atomic composition. The Ag_3 Sn complexes are most likely to exist in the liquid state and are moderately interacting.

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