scholarly journals Transport properties of lattice fluid with SALR-potential on a simple square lattice

2021 ◽  
pp. 90-101
Author(s):  
Yaroslav G. Groda ◽  
Ruslan N. Lasovsky
Keyword(s):  
Diffusion Coefficient ◽  
Transport Properties ◽  
Diffusion Coefficients ◽  
Lattice Gas ◽  
Tracer Diffusion ◽  
Transport Processes ◽  
Square Lattice ◽  
Lattice Systems ◽  
Lattice Fluid ◽  
The Monte Carlo Method

The transport properties of the lattice fluid with the attraction interaction between the nearest and repulsion interaction between the next-next-nearest neighbours on the square lattice are investigated. Computer simulation by the Monte Carlo method of the diffusion process in the specified system has been realised. The jump and tracer diffusion coefficients were determined. The dependence of the diffusion coefficients versus the concentration of adparticles and the interaction parameter of the model is investigated. The activation energy of jump and tracer diffusion determined. The possibility of estimating the jump diffusion coefficient of the lattice fluid with competing interactions using the Zhdanov’s relation on the base of information on the equilibrium properties of the system and the diffusion coefficient of a Langmuir (non-interacting) lattice gas is shown. In the future, it is planned to use the obtained results to study transport processes in 3D lattice systems which is suitable for describing the processes of mass or charge transfer in the volumes of solids.

Temperature dependence of tracer diffusion coefficients in polystyrene

1986 ◽  
Vol 1 (1) ◽  
pp. 202-204 ◽  
Author(s):  
Peter F. Green ◽  
Edward J. Kramer
Keyword(s):  
Molecular Weight ◽  
Diffusion Coefficient ◽  
Shear Rate ◽  
Temperature Dependence ◽  
Diffusion Coefficients ◽  
Tracer Diffusion ◽  
Tracer Diffusion Coefficient ◽  
Critical Molecular Weight ◽  
Tracer Diffusion Coefficients ◽  
Monomeric Friction Coefficient

The temperature dependence of the tracer diffusion coefficient D* of long deuterated polystyrene (d-PS) chains of molecular weight M>Mc, where Mc is the critical molecular weight for entanglement, diffusing into highly entangled PS matrices, each of molecular weight P = 2×107, is studied using forward recoil spectrometry. It is found that the temperature dependence of D*/T, reflected primarily in the monomeric friction coefficient, is accurately described by a Vogel equation. The constants that are used to fit these results are independent of M and are the same as those used to fit the temperature dependence of the zero shear rate viscosity of polystyrene.

The importance of transport property studies for battery electrolytes: revisiting the transport properties of lithium–N-methyl-N-propylpyrrolidinium bis(fluorosulfonyl)imide mixtures

2017 ◽  
Vol 19 (16) ◽  
pp. 10527-10542 ◽  
Author(s):  
Thomas Rüther ◽  
Mitsuhiro Kanakubo ◽  
Adam S. Best ◽  
Kenneth R. Harris
Keyword(s):  
Transport Properties ◽  
Transport Property ◽  
Diffusion Coefficients ◽  
Tracer Diffusion ◽  
Ion Interactions ◽  
Tracer Diffusion Coefficients

All three ion–ion interactions contribute to transport properties in {Li[FSI]–[Pyr13][FSI]} mixtures. Tracer diffusion coefficients of LI+ in [Pyr13][FSI] are predicted.

Thermodynamic Diffusion Coefficients

2008 ◽  
Vol 279 ◽  
pp. 39-52 ◽  
Author(s):  
G.B. Kale
Keyword(s):  
Diffusion Coefficient ◽  
Diffusion Coefficients ◽  
Driving Force ◽  
Chemical Potential ◽  
Potential Gradient ◽  
Ternary Systems ◽  
Tracer Diffusion ◽  
Chemical Potential Gradient ◽  
Concentration Difference ◽  
Phenomenological Coefficients

A new form of diffusion coefficient termed as thermodynamic diffusion coefficient is introduced in this paper. Conventionally, diffusion coefficients are evaluated using concentration gradient as driving force. But truly, chemical potential gradient is the actual driving force that determines the material flow in any part of the system. Thermodynamic diffusion coefficients are based on chemical potential gradient as driving force. The relation between thermodynamic diffusion coefficients and phenomenological coefficients has been established. The advantages of thermodynamic diffusion coefficients have been underlined, especially, in the cases of line compounds where concentration difference across the phase is zero or in case of intermetallic compounds with narrow homogeneity range. The intrinsic thermodynamic diffusion coefficients are equal to tracer diffusion coefficients. This helps in estimating tracer diffusivities in cases where tracers are not easily available. The advantages of thermodynamic diffusion coefficients are shown in binary and ternary systems by illustrating them in Ni-Al and Fe-Ni-Cr systems.

Fe tracer diffusion in L10 ordered FePt

2002 ◽  
Vol 753 ◽  
Author(s):  
Y. Nosé ◽  
T. Ikeda ◽  
H. Nakajima ◽  
K. Tanaka ◽  
H. Numakura
Keyword(s):  
Activation Energy ◽  
Diffusion Coefficient ◽  
Single Crystal ◽  
Diffusion Coefficients ◽  
Ion Beam ◽  
Tracer Diffusion ◽  
Ordered Structure ◽  
Tracer Diffusion Coefficient ◽  
Exponential Factor ◽  
Axis Direction

ABSTRACTTracer diffusion coefficient of 59Fe in FePt with the tetragonal L10 ordered structure has been measured by an ion-beam sputter-sectioning technique in the temperature range from 1173 to 1374 K. Anisotropy in diffusion has been studied using single-variant single-crystal specimens. The diffusion coefficient in the direction perpendicular to [001] axis (in the a-axis direction), Da, is larger than that in the [001] (c-axis) direction, Dc, as expected from the atomic arrangement of the L10 ordered structure. The ratio of the diffusion coefficients, Da/Dc, is 1.33.6 for Fe42Pt58 and smaller at higher temperatures. The activation energy for the diffusion is 259 ± 1 kJ/mol for Da and 309 ± 18 kJ/mol for Dc, while the pre-exponential factor is and , respectively in Fe42Pt58.

Interdiffusion in Polyimide Thin Films

1986 ◽  
Vol 72 ◽  
Author(s):  
E. J. Kramer ◽  
W. Volksen ◽  
T. P. Russell
Keyword(s):  
Thin Films ◽  
Diffusion Coefficient ◽  
Silicon Substrate ◽  
Diffusion Coefficients ◽  
Depth Profiling ◽  
Tracer Diffusion ◽  
Polyamic Acid ◽  
Diffusion Temperature ◽  
Tracer Diffusion Coefficients ◽  
Large Diffusion

AbstractThe interdiffusion in thin films of polyimide has been investigated using the forward recoil spectrometry (FRES) technique. Films 5–10 μm in thickness of polyamic acid spin coated onto a silicon substrate were imidized at a temperature TI. A second film, ∼300Å in thickness of perdeuterated polyamic acid was spin-coated onto the first layer and heated to a temperature TD to allow interdiffusion of the two films and imidization of the second coating. Depth profiling of the deuterated polymer by FRES showed that no interdiffusion occurred if TI>TD and TI>200°C. Substantial interdiffusion occurred if TD>TI and TI<400° C. Time averaged tracer diffusion coefficients were found to vary with the TD and TI, as well as the length of time allowed for interdiffusion. Since conversion of the deuterated polyamic acid to polyimide occurs at the diffusion temperature, the results are consistent with a relatively large diffusion coefficient for the polyamic acid (D>2.5× 10−14 cm2/sec) which decreases to a negligible value as the molecule is fully converted to the corresponding polyimide.

Phase Diagram and Transport Properties of Cubic Lithium Sulphate with Small Quantities of Thulium Sulphate and Aluminium Sulphate

1970 ◽  
Vol 25 (12) ◽  
pp. 1921-1925 ◽  
Author(s):  
Ante Bengtzelius ◽  
Ann-Mari Josefson ◽  
Arnold Kvist ◽  
Kjell Schroeder
Keyword(s):  
Phase Diagram ◽  
Electrical Conductivity ◽  
Transport Properties ◽  
Diffusion Coefficients ◽  
Divalent Cations ◽  
Tracer Diffusion ◽  
Aluminium Sulphate ◽  
Lithium Sulphate ◽  
Tracer Diffusion Coefficients

Abstract The phase diagram and electrical conductivity of cubic lithium sulphate with small quantities of thulium sulphate and aluminium sulphate have been measured. We have also measured the tracer diffusion coefficients of Tm3+ and Al3+ in pure cubic lithium sulphate. The diffusion coefficients of the trivalent ions are much lower than those of the univalent and divalent cations. The results indicate that the trivalent ions are trapped in the lattice.

Use of 1H NMR to study transport processes in sulfidogenic granular sludge

1997 ◽  
Vol 36 (6-7) ◽  
pp. 157-163 ◽  
Author(s):  
Piet Lens ◽  
Look Hulshoff Pol ◽  
Gatze Lettinga ◽  
Henk Van As
Keyword(s):  
Magnetic Field ◽  
Nuclear Magnetic Resonance ◽  
Diffusion Coefficient ◽  
Diffusion Coefficients ◽  
Granular Sludge ◽  
Transport Processes ◽  
Data Set ◽  
Apparent Diffusion ◽  
General Parameter ◽  
Nmr Techniques

Pulsed field gradient nuclear magnetic resonance (NMR) techniques have been applied to study diffusion and flow in a sulfidogenic granular sludge bed. When sulfidogenic granular sludge is exposed to a 20 MHz magnetic field, a multi-exponential spin-spin relaxation (T2) with at least 5 populations is observed. One of these populations (T2 ≈ 30 ms) is intracellular water. Diffusion measurements at 22°C with 1H-water as tracer indicated that sulfidogenic granular sludge contains a distribution of diffusion coefficients between 1.0 × 10−9 m2/s and 2.1 × 10−9 m2/s. Analysing the data set using a monoexponential fit gives a general parameter that can be used to describe the apparent diffusion coefficient in granular sludge. This approach showed that sulfidogenic granular sludge cultivated in different reactor configurations (UASB, USSB and baffled reactors) has comparable diffusional characteristics. Finally, the use of flow and imaging measurements in sulfidogenic granular sludge beds is discussed.

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