Liquid modeling liquids other than water

This approach leads to a model of a liquid other than water that has a calculated viscosity different from water but that may be all that is needed for a particular study. It should be noted that the vapor pressure presents a similar... 

So far we have focused on models reproducing properties of water. What about other solvents Can we manipulate the J and Pb rules to achieve a model that reflects the properties of a liquid other than water This is an unexplored territory, but we will address the issue here in terms of what a useful approach may be. 

The equilibrium in these systems above the cloud point then involves monomer-micelle equilibrium in the dilute phase and monomer in the dilute phase in equilibrium with the coacervate phase. Prediction o-f the distribution of surfactant component between phases involves modeling of both of these equilibrium processes (98). It should be kept in mind that the region under discussion here involves only a small fraction of the total phase space in the nonionic surfactant—water system (105). Other compositions may involve more than two equilibrium phases, liquid crystals, or other structures. As the temperature or surfactant composition or concentration is varied, these regions may be encroached upon, something that the surfactant technologist must be wary of when working with nonionic surfactant systems. 

If one calculates the sensitivity coefficients of different properties of an aqueous system with respect to the atomic partial charges of the water models, the sensitivity coefficients obtained from an effective charge model can be different from those of a polarizable model. This difference was found in calculations of the charge sensitivities of different properties of liquid water with two effective charge models (the SPC and the TIP3P models ) and a polarizable water model > (Table 1), although the differences were more pronounced for sensitivity coefficients of some types than for others. Therefore, in using sensitivity coefficients to help identify the determinants of bio(molecular) proper-... 

A second fault common to all non-polarizable water models is their inability to describe the water interactions of both the isolated molecular pair as well as the condensed liquid regime without running into undesired state dependent force-field parameters [50,61]. Thus, non-polarizable water models suffer from the lack of transferability, and therefore, they cannot be expected a priori to describe accurately the phase behavior at conditions other than the one used in the parameterization. 

In this section we generalize the concept of molecular distribution to include properties other than the locations and orientations of the particles. We shall mainly focus on the singlet generalized molecular distribution function (MDF), which provides a firm basis for the so-called mixture model approach to liquids. The latter has been used extensively for complex liquids such as water and aqueous solutions. 

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