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Liquid properties of, 462

The molecular and liquid properties of water have been subjects of intensive research in the field of molecular science. Most theoretical approaches, including molecular simulation and integral equation methods, have relied on the effective potential, which was determined empirically or semiempirically with the aid of ab initio MO calculations for isolated molecules. The potential parameters so determined from the ab initio MO in vacuum should have been readjusted so as to reproduce experimental observables in solutions. An obvious problem in such a way of determining molecular parameters is that it requires the reevaluation of the parameters whenever the thermodynamic conditions such as temperature and pressure are changed, because the effective potentials are state properties. [Pg.422]

Wallqvist A, Ahlstrom P, Karlstrom G (1990) A new intermolecular energy calculation scheme -applications to potential surface and liquid properties of water. J Phys Chem 94(4) 1649-1656... [Pg.254]

Kaminski, G. Duffy, E. M. Matsui, T. Jorgensen, W. L., Free-energies of hydration and pure liquid properties of hydrocarbons from the OPLS all-atom model, J. Phys. Chem. 1994, 98, 13077-13082. [Pg.496]

The liquid properties of primary importance are density, viscosity and surface tension. Unfortunately, there is no incontrovertible evidence for the effects of liquid viscosity and surface tension on droplet sizes, and in some cases the effects are conflicting. Gas density is generally considered to be the only thermophysical property of importance for the atomization of liquids in a gaseous medium. Gas density shows different influences in different atomization processes. For example, in a fan spray, or a swirl jet atomization process, an increase in the gas density can generally improve... [Pg.253]

PEER POLYMERS NEW UNSATURATED POLYESTERS 3.4 LIQUID PROPERTIES OF PEER RESINS... [Pg.725]

In the Reusch model , the complexes have the liquid properties of polymer electrolytes and this suggests a family of conformations rather than a single defined structure. In the Seebach model , several PHB molecules surround the PolyP unit. Individual PHB chains are free to adopt various positions in the phospholipid lattice hence, a well-defined structure is again unlikely. Further studies may help us in choosing one of these two proposed models. [Pg.46]

Intermolecular Energy Calculation Scheme Applications to Potential Surface and Liquid Properties of Water. [Pg.137]

Although it was once essential that volatile precursors be used, this is no longer a synthetic limitation. Within the last decade, the gas/liquid properties of supercritical fluids (e.g, CO2) have been used to solvate certain precursors, facilitating their use for Two variations of this technique may be used supercritical fluid... [Pg.199]

A. Wallqvist, P. Ahlstrom, and G. Karlstrom, J. Phys. Chem., 94, 1649 (1990). A New Intermolecular Energy Calculation Scheme Applications to Potential Surface and Liquid Properties of Water. [Pg.287]

Factors Affecting Expression Operations Based on fundamental theory, variables affecting expression include characteristics of suspending particles, properties of liquid, properties of filter cake, and expression operation conditions as summarized in Fig. 18-187. Expression efficiency is determined by the properties of the filter cake, which very much depend on characteristics of the suspending particle, properties of liquid, and operation conditions. Interrelationships of the above parameters are described by empirical equations covering restrictive ranges. [Pg.2079]

Determining the specific volume is also the first step in calculating the enthalpy and vapor-liquid properties of mixtures. Calculating this enthalpy is especially important when making energy balances to reduce energy use and help the environment. [Pg.5]

A new pressure-explicit equation of state suitable for calculating gas and liquid properties of nonpolar compounds was proposed. In its development, the conditions at the critical point and the Maxwell relationship at saturation were met, and PVT data of carbon dioxide and Pitzers table were used as guides for evaluating the values of the parameters. Furthermore, the parameters were generalized. Therefore, for pure compounds, only Tc, Pc, and o> were required for the calculation. The proposed equation successfully predicted the compressibility factors, the liquid fugacity coefficients, and the enthalpy departures for several arbitrarily chosen pure compounds. [Pg.169]

Table 2.3 Computed liquid properties of the XP3 P model for water along with those from experiments, and the T1P3P, AMOEBA, and SWM4-NDP models"... Table 2.3 Computed liquid properties of the XP3 P model for water along with those from experiments, and the T1P3P, AMOEBA, and SWM4-NDP models"...
What was said about the state of knowledge on collisions of different miscible liquid drops applies to the case of immiscible liquids also. We find the work by Chen and Chen [49], who investigated the collision of equal-sized droplets of water and Diesel oil. The dynamic viscosities and surface tensions of the two liquids against air at the temperature of the experiments are different by a factor of 3.1 and 2.6, respectively. Drop sizes, produced with the same piezoelectric droplet generators as in Gao et al. [45], ranged between 700 and 800 pm. The result of an experimental survey of the outcome fi om the collisions for varying impact Weber number and non-dimensional impact parameter is a flow chart similar to that in Fig. 7.5a, where the Weber number is defined with the relative velocity of the colliding drops and the liquid properties of Diesel oU. The boundaries between the... [Pg.167]

Some solid-liquid systems defy easy separation by the straightforward methods described elsewhere the combination of particle sizes, densdties sur ce properties, solids concentration and liquid viscosity give an extremely stable suspenrion winch will not respond to hormal methods of treatment. To solve this difBcnhy the process en eer has to change the behaviour of die stem so that it becomes eaaer to separate the two phases. Occasionalfy the liquid properties of viscoaty, deni and sur ce tenirion may need to be modified in order to achieve major inq>rovements to the sofid-liquid sq>aration process. [Pg.153]

The liquid property of the API-ILs seems to be one solution to overcome the disadvantages of limited solubility, low bioavailability, variable polymorphs, and limited membrane transport, but in the same time may also present challenges related to their preparation, handling, and the need for special devices for dehvery. Recently, we showed that a supported ionic Hquid phase (SILP) strategy [17] not only can be successfully applied to API-ILs, but also provides an easier way to handle and dose these liquid APIs with additional advantages such as improved thermal stability and rapid and complete leaching from the solid support... [Pg.388]

Considering the influence of pressure on the vapor and liquid properties of a substance, the real saturated vapor pressure p j is... [Pg.32]

On the one hand, such anisotropic stmcture of the membranes allows one to protect its internal part from unwanted external action and, on the other hand, the liquidity of such stmcture provides the high transport carriers properties of the cell - permeability, ions transportation, and so on. Most important proteins, such as receptors, enzymes, dmg, and hormone molecules, are freely floating inside double lipid layers maintaining the vitally important cell functions. Thus, the LC nature of the cells provides the unique combination of solid and liquid properties of many biological stmctures in living organisms. [Pg.263]


See other pages where Liquid properties of, 462 is mentioned: [Pg.169]    [Pg.191]    [Pg.196]    [Pg.292]    [Pg.725]    [Pg.104]    [Pg.119]    [Pg.120]    [Pg.243]    [Pg.3]    [Pg.166]    [Pg.807]    [Pg.1489]   
See also in sourсe #XX -- [ Pg.419 ]




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