The author of 《A force field of Li+, Na+, K+, Mg2+, Ca2+, Cl-, and SO42- in aqueous solution based on the TIP4P/2005 water model and scaled charges for the ions》 were Zeron, I. M.; Abascal, J. L. F.; Vega, C.. And the article was published in Journal of Chemical Physics in 2019. Recommanded Product: 7647-14-5 The author mentioned the following in the article:
A force field for several ions in water is proposed. In particular, we consider the cations Li+, Na+, K+, Mg2+, and Ca2+ and the anions Cl- and SO42-. These ions were selected as they appear in the composition of seawater, and they are also found in biol. systems. The force field proposed (denoted as Madrid-2019) is nonpolarizable, and both water mols. and sulfate anions are rigid. For water, we use the TIP4P/2005 model. The main idea behind this work is to further explore the possibility of using scaled charges for describing ionic solutions Monovalent and divalent ions are modeled using charges of 0.85 and 1.7, resp. (in electron units). The model allows a very accurate description of the densities of the solutions up to high concentrations It also gives good predictions of viscosities up to 3 m concentrations Calculated structural properties are also in reasonable agreement with the experiment We have checked that no crystallization occurred in the simulations at concentrations similar to the solubility limit. A test for ternary mixtures shows that the force field provides excellent performance at an affordable computer cost. In summary, the use of scaled charges, which could be regarded as an effective and simple way of accounting for polarization (at least to a certain extend), improves the overall description of ionic systems in water. However, for purely ionic systems, scaled charges will not adequately describe neither the solid nor the melt. (c) 2019 American Institute of Physics. In the experiment, the researchers used many compounds, for example, Sodium chloride(cas: 7647-14-5Recommanded Product: 7647-14-5)
Sodium chloride(cas: 7647-14-5) has been used for the preparation of tris buffered saline, phosphate buffered saline, MPM-2 (mitotic protein monoclonal 2) cell lysis buffer, immunoprecipitation wash buffer, LB (Luria-Bertani) media and dialysis buffer.Recommanded Product: 7647-14-5
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics