Effects of electrical image potentials and solvation energy on salt ions near a metallic or dielectric wall

2021 ◽  
Vol 44 (10) ◽  
Author(s):  
J. B. Sokoloff
1999 ◽  
Vol 64 (11) ◽  
pp. 1727-1747 ◽  
Author(s):  
George R. Famini ◽  
Dalia Benyamin ◽  
Christina Kim ◽  
Rattiporn Veerawat ◽  
Leland Y. Wilson

Theoretical linear solvation energy relationships (TLSER) combine computational molecular parameters with the linear solvation energy relationship (LSER) of Kamlet and Taft to characterize and predict properties of compounds. This paper examines the correlation of the gas-water equilibrium constant for 423 compounds with the TLSER parameters. Also, it describes new parameters designed to improve the TLSER information content.


Energies ◽  
2021 ◽  
Vol 14 (3) ◽  
pp. 703
Author(s):  
Zhao Li ◽  
Liu Cui ◽  
Baorang Li ◽  
Xiaoze Du

The effects of SiO2 nanoparticles on the heat storage properties of Solar Salt (NaNO3-KNO3) are studied using experimental and molecular dynamics (MD) simulations. The experiment results show the specific heat capacity of the molten salt-based nanofluids is higher than that of the pure base salt. We focus on the inference regarding the possible mechanisms behind the enhancement of the specific heat capacity which are considered more acceptable by the majority of researchers, the energy and force in the system are analyzed by MD simulations. The results demonstrate that the higher specific heat capacity of the nanoparticle is not the reason leading to the heat storage enhancement. Additionally, the analysis of potential energy and system configuration shows that the other possible mechanisms (i.e., interfacial thermal resistance theory and compressed layer theory) are only superficial. The forces between the nanoparticle atoms and base salt ions construct the constraint of the base salt ions, further forms the interfacial thermal resistance, and the compressed layer around the nanoparticle. This constraint has a more stable state and requires more energy to deform it, leading to the improvement of the heat storage property of nanofluids. Our findings uncover the mechanisms of specific heat capacity enhancement and guide the preparation of molten salt-based nanofluids.


2013 ◽  
Vol 295-298 ◽  
pp. 1154-1160 ◽  
Author(s):  
Guo Zhi Deng ◽  
Xue Yuan Wang ◽  
Xian Yang Shi ◽  
Qian Qian Hong

The objective of this paper is to investigate the feasibility of phenol adsorption from aqueous solution by Pinus massoniana biochar. Adsorption conditions, including contact time, initial phenol concentration, adsorbent dosage, strength of salt ions and pH, have been investigated by batch experiments. Equilibrium can be reached in 24 h for phenol from 50 to 250 mg• L-1. The optimum pH value for this kind of biochar is 5.0. The amount of phenol adsorbed per unit decreases with the increase in adsorbent dosage. The existence of salt ions makes negligible influence on the equilibrium adsorption capacity. The experimental data is analyzed by the Freundlich and Langmuir isotherm models. Equilibrium data fits well to the Freundlich model. Adsorption kinetics models are deduced and the pseudo-second-order kinetic model provides a good correlation for the adsorbent process. The results show that the Pinus massoniana biochar can be utilized as an effective adsorption material for the removal of phenol from aqueous solution.


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