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Writer: 

HASHEMI S. | MORADI M.

Issue Info: 
  • Year: 

    2013
  • Volume: 

    16
Measures: 
  • Views: 

    129
  • Downloads: 

    64
Abstract: 

IN THIS ARTICLE THE VARIATION OF PRESSURE OF ONE DIMENSIONAL HARD ELLIPSES (HE) AND GEY BERN (GB) PARTICLES CONFINED BETWEEN TWO WALLS WITH RESPECT TO WALL SEPARATION IS INVESTIGATED [1-3]. ALSO WE STUDY THE DEPENDENCY OF THIS QUANTITY WITH RESPECT TO THE STRUCTURE OF WALLS. THIS HAS BEEN DONE BY CONSIDERING THREE TYPES OF WALL-PARTICLE INTERACTIONS SUCH AS: HARD WALL; WALL WITH SOFT ELLIPSES INSERTED AT DIFFERENT ANGLES [4]; WALL WITH HARD ELLIPSES INSERTED AT DIFFERENT ANGLES, WHICH CAN INTERACT WITH THE GB PARTICLES OF THE SYSTEM. WE PERFORM THE MONTE CARLO SIMULATION IN NVT ENSEMBLE, FOR A SYSTEM OF CONFINED ELLIPSES AND CHOOSE A 1D SIMULATION LINE. THE PARTICLES CAN ROTATE FREELY IN XY PLANE, WHILE THEIR CENTERS CAN ONLY MOVE IN X DIRECTION. WE CAN RELATE THE PRESSURE OF THE SYSTEM TO THE SOLVATION FORCE BETWEEN TWO NANO CIRCULAR PARTICLES SUSPENDED IN A HARD-ELLIPSE OR GB FLUID. FIGURE 1 SHOWS THE OSCILLATORY BEHAVIOR OF THE SOLVATION FORCE BETWEEN TWO NANO PARTICLES FOR TWO DIFFERENT INTERACTIONS OF HE AND GB. AS IT IS SEEN FROM THIS FIGURE FOR SMALL SEPARATIONS OF THE WALLS AND FOR THE CASE OF HARD ELLIPSES THE SOLVATION IS REPULSIVE WHEREAS FOR THE CASE OF GB PARTICLES IT IS ATTRACTIVE. BUT FOR GREATER VALUES OF WALL DISTANCE THE FORCE GOES TO ZERO, AS EXPECTED.

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Issue Info: 
  • Year: 

    2018
  • Volume: 

    2
  • Issue: 

    1
  • Pages: 

    127-137
Measures: 
  • Citations: 

    0
  • Views: 

    323
  • Downloads: 

    49
Abstract: 

In a previous study, one of the authors of this work calculated the SOLVATION FORCE of a hard ellipsoid fluid with hard Gaussian overlap potential using hard needle wall interaction and non-linear equation proposed by Grimson-Rickyazen. In the present study, using density functional theory and extended restricted orientation model, the SOLVATION FORCE of hard ellipsoid fluid in the presence of more realistic rod-sphere and rod-surface interactions si calculated. We investigate weak and strong molecule-surface coupling strengths. The colloids distance effects on density profiles are calculated. We could not find the exact or simulation results for comparison. The results in the case k  3. 0 are compared with the SOLVATION FORCE of hard Gaussian overlap fluid and hard needle-wall interaction. The results corresponded, qualitatively.

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Author(s): 

HASHEMI S. | MORADI M.

Issue Info: 
  • Year: 

    2015
  • Volume: 

    3
  • Issue: 

    1
  • Pages: 

    58-66
Measures: 
  • Citations: 

    0
  • Views: 

    376
  • Downloads: 

    122
Abstract: 

The model fluids containing hard ellipses (HEs) and Gay-Berne (GB) particles where their center is moving in one dimension and confined between two parallel walls with different interactions are investigated using Monte Carlo simulation, NVT ensemble. The dependency of fluid pressure with respect to the wall distances is studied. The oscillatory behaviors are seen in this quantity against wall separations. The total average number density profile of particles is calculated using the angular number density. For both HE and GB particles confined between hard walls the total average number density at the wall shows a similar oscillatory behavior. We also related the pressure of these systems to the relevant SOLVATION FORCE between two colloidal particles. We have investigated the dependency of this quantity to the packing fraction, temperature, structure of the walls confining the particles and the interaction between ellipses of the fluid. Finally it is possible to reach the required SOLVATION FORCEs by changing the thermodynamic or structural properties.

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Author(s): 

MORADI M. | KAVOSH TEHRANI M.

Issue Info: 
  • Year: 

    2001
  • Volume: 

    25
  • Issue: 

    A2
  • Pages: 

    0-0
Measures: 
  • Citations: 

    0
  • Views: 

    385
  • Downloads: 

    0
Abstract: 

SOLVATION FORCE in Lennard Jones and Stockmayer fluids at various temperatures is obtained by using the density functional theory (DFT) proposed by Rickayzen and Augousti (RA). The structure of Lennard Jones fluid confined to a slit is calculated by this theory. The density profile of Stockmayer fluid confined to a slit in the presence of external electric field is obtained by the density functional theory introduced by Moradi and Rickayzen. This functional is based on the extended Hypernetted Chain (HNC) theory which originally was introduced by RA. The calculated density profiles are used to obtain the SOLVATION FORCE at various temperatures and, as the results show, the SOLVATION FORCE depends on temperature, the interaction of the fluid molecules and the wall potential. Since the solvent in between colloidal particles is considered as a confined fluid, these calculations can be used to study the behavior of colloidal systems.

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Author(s): 

ALIZADEH N.

Issue Info: 
  • Year: 

    2005
  • Volume: 

    15
  • Issue: 

    56
  • Pages: 

    174-179
Measures: 
  • Citations: 

    0
  • Views: 

    1454
  • Downloads: 

    0
Abstract: 

A proton NMR method for the determination of SOLVATION numbers of alkaline earth cations with hexamethyl phosphoramide in nitromethane as diluent is described. The method is based on monitoring the resonance frequency of solvent's protons as a function of solvent to metal ion mole ratio at constant metal ion concentration. The average SOLVATION number of cations, n, at any solvent/metal ion mole ratio was calculated from the NMR chemical shift-mole ratio data and was plotted against the mole ratio values. The SOLVATION numbers of alkaline earth cations were obtained from the limiting values of the corresponding n, vs. mole ratio plots.The effect of presence of water on the SOLVATION numbers of alkaline earth cations with HMP A was studied. In this case, variations in the resonance frequency of H2O protons brought about upon titration of the cations by HMP A was used to estimate the SOLVATION number of cations with these solvents.

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Author(s): 

ALIZADEH N. | AMINI M.K.

Issue Info: 
  • Year: 

    2001
  • Volume: 

    20
  • Issue: 

    1
  • Pages: 

    12-19
Measures: 
  • Citations: 

    0
  • Views: 

    486
  • Downloads: 

    559
Abstract: 

A proton NMR method for the determination of SOLVATION numbers of alkaline earth cations with hexamethyl phosphoramide (HMPA) in nitromethane (NM) as diluent is described. The method is based on monitoring the resonance frequency of HMPA protons as a function of HMPA/metal ion molar ratio at constant metal ion concentration. The average SOLVATION number of cations, (n) over bar, at any HMPA/metal ion ratio obtained from the NMR chemical shift-molar ratio data was plotted against the molar ratios values. The SOLVATION numbers of each alkaline earth cation was determined from the limiting value of the corresponding (n) over bar, vs. molar ratio plot.

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Issue Info: 
  • Year: 

    2022
  • Volume: 

    1
  • Issue: 

    2
  • Pages: 

    99-105
Measures: 
  • Citations: 

    0
  • Views: 

    31
  • Downloads: 

    11
Abstract: 

Preferential SOLVATION analysis on experimental solubility data of moxidectin was performed by using Invers Kirkwood-Buff Integrals approach at 298. 15 K. Local mole fraction of solvents in SOLVATION shell of moxidectin as well as the extent of preferential SOLVATION by each of solvents were calculated as a function of the bulk mole fraction of binary mixtures of water with methanol, ethanol, isopropanol and ethylene glycol. Results indicate that preferential SOLVATION of moxidectin by water occurs in water-rich regions. Whereas, beyond water-rich regions, moxidectin was preferentially surrounded by alcohols in all binary mixtures studied.

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Author(s): 

ALIZADEH NINA

Issue Info: 
  • Year: 

    2007
  • Volume: 

    7
  • Issue: 

    1-2
  • Pages: 

    919-930
Measures: 
  • Citations: 

    0
  • Views: 

    1941
  • Downloads: 

    0
Abstract: 

A proton NMR method for the study of the SOLVATION of alkaline earth cations with methanol (MeOH), ethanol (EtOH) and propanol (PrOH) in nitromethane (NM) as diluent is described. The method is based on monitoring the resonance frequency of alchohols protons as a function of solvent to metal ion mole ratio at constant metal ion concentration. The average SOLVATION number of cation,`n, at any alchohol/methal ion mole ratio was calculated from the NMR chemical shift-mole ratio data and was plotted against the mole ratio values. The SOLVATION numbers of alkaline earth cations were obtained from the limiting values of the corresponding`n vs. mole ratio plots. With regard to the results presented, there are increases in the SOLVATION number from Mg+2 to Sr+2 about every alcohols, but decreases in SOLVATION number from methanol to propanol as concerns every metal ion.

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Author(s): 

JOUYBAN A.

Issue Info: 
  • Year: 

    2016
  • Volume: 

    54
  • Issue: 

    5
  • Pages: 

    563-573
Measures: 
  • Citations: 

    1
  • Views: 

    110
  • Downloads: 

    0
Keywords: 
Abstract: 

Yearly Impact: مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

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Author(s): 

DELGADO D.R.

Issue Info: 
  • Year: 

    2016
  • Volume: 

    203
  • Issue: 

    5
  • Pages: 

    619-627
Measures: 
  • Citations: 

    1
  • Views: 

    90
  • Downloads: 

    0
Keywords: 
Abstract: 

Yearly Impact: مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

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