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This paper reports molecular dynamics simulations of the magnetite (001 -water interface, both in pure water and in the presence of a 2.3 molal solution of NaClO4.
The standard state convention adopted for aqueous species other than H2O corresponds to unit activity of a hypothetical one molal solution referenced to infinite dilution at any temperature and pressure [30, 47].
For aqueous species other than H2O, the standard state was unit activity of the species in a hypothetical 1 molal solution referenced to infinite dilution at any temperature and pressure.
The standard state for minerals and pure water is unit activity, and for all aqueous species other than dissolved CO2 is unit activity in a hypothetical 1 molal solution referenced to infinite dilution at any pressure and temperature.
The standard state for aqueous species including proteins specifies unit activity of the aqueous species in hypothetical one molal solution referenced to infinite dilution.
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Moreover, the slope of the ΔT vs. molal solute concentration is found to be pore-size dependent.
The hydration shells of ions at interfaces differ from those in the bulk solutions as demonstrated by a simulation of a 2.2 molal Lil solution between Lennard-Jones walls.
Non-reacting solutions having a total polymer concentration of 12.3 g dm−3 could be prepared in ca. 1.8 molal aqueous solutions of NaCl, NaBr and LiBr, but at lower salt concentrations PEC were formed due to insufficient shielding of ionic charges.
A 10 molal sodium hydroxide solution was used to activate fly ash at solution: ash ratios of 2 1 and 4 1, and at a solution: (soil + ash) ratio of 0.40.
Figure 1 ESEM images of Class G cement reacted in 0.13 molal CaCl 2 solution showing crystalline portlandite, residual anhydrous Ca 2 SiO 4 and amorphous CSH.
In the present study molecular dynamics simulations of the structure of a 2.2 molal aqueous NaCl solution in the vicinity of an idealized metal surface are reported.
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