Hydrogen-Bonded Fluids

Various equations of state have been developed to treat association ia supercritical fluids. Two of the most often used are the statistical association fluid theory (SAET) (60,61) and the lattice fluid hydrogen bonding model (LEHB) (62). These models iaclude parameters that describe the enthalpy and entropy of association. The most detailed description of association ia supercritical water has been obtained usiag molecular dynamics and Monte Carlo computer simulations (63), but this requires much larger amounts of computer time (64—66). 

The forces leading to microstructure formation in complex fluids are relatively few Excluded-volume, van der Waals, and electrostatic forces are the main ones. In some fluids, hydrogen bonding, hydrophobic, or various solvation forces are also important. Simplified theories can account for the effects of these forces on fluid structure and, to some extent, on relaxation rates. 

According to our approach, known in the literature as the LFHB (lattice fluid hydrogen bonding) approach, the system partition function can be factored into a physical and a chemical or hydrogen bonding term ... 

This volume begins with a chapter on modem cluster methods in equilibrium statistical mechanics and shows how topological reduction can be used to renormalize bonds. A general discussion of renormalization methods is given and the formalism is applied to the study of polar gases, ionic solutions, perturbation theory of fluids, hydrogen-bonded fluids, and integral equations. 

Takishima, S., O Neill, M. L. and Johnston, K. P. (1997) Solubility of Block Copolymer Surfactants in Compressed C02 Using a Lattice Fluid Hydrogen Bonding Model, Ind. Eng. Chem.Res. 36,2821-2833. 

Hong, J.H., Malone, P.V., Jett, M.D., and R. Kobayashi, "The measurement and Interpretation of the Fluid Phase Equilibria of a Normal Fluid in a Hydrogen Bonding Solvent The Methane-Methanol System", Fluid Phase Equilibria, 38,83-86(1987). 

Solvent-resistant elastomers, 9 560-562 Solvent-resistant membranes, 27 656 Solvent-resistant rubber, 22 583-584 Solvent selection, in liquid-liquid extraction, 70 746-749 Solvent-solute interactions, 26 855,23 91-96 acid/base interactions in, 23 96 dispersion in, 23 92-93 electrostatic forces in, 23 91-92 hydrogen bonding in, 23 94-95 hydrophobic interactions in, 23 95 polarization in, 23 92 repulsion in, 23 93-94 Solvent strength, of pure fluids, 24 3-4 Solvent systems, for acid gas removal, 72 376-377... 

Figure 10 O-H radial distribution function as a function of density at 2000 K. At 34 GPa, we find a fluid state. At 75 GPa, we show a covalent solid phase. At 115 GPa, we find a network phase with symmetric hydrogen bonding. Graphs are offset by 0.5 for clarity.

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