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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of statistical physics 100 (2000), S. 167-199 
    ISSN: 1572-9613
    Keywords: high-temperature solvation thermodynamic ; molecular asymmetry ; supercritical fluids ; solvation formalism ; aqueous electrolyte solutions ; solvation effects on kinetic rate constants ; solute-induced effects ; compressibility-driven phenomena
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The solvation of infinitely dilute solutes in supercritical solvents is illustrated by integral equation calculations, according to a recently proposed molecular-based formalism that characterizes the solvent environment around individual species and connects it to the resulting macroscopic solvation behavior. The formalism is applied to the analysis of the solubility enhancement of nonelectrolyte species, the solvent effect in kinetic rate constants, and the solvation of ionic species. Finally, some relevant theoretical implications are discussed regarding the modeling of high-temperature solutions.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    International journal of thermophysics 17 (1996), S. 147-156 
    ISSN: 1572-9567
    Keywords: aqueous solutions ; hydrogen bonding ; ion pairing ; molecular simulation ; solute-induced effects ; solvation ; supercritical water
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract We review molecular dynamics simulations of infinitely dilute supercritical aqueous NaCl solutions to determine the solvation structure and the soluteinduced effect on water water hydrogen bonding and report new simulation results On the extent of the ion pairing. Our simulation studies indicate that Na+ and Cl ions as a pair or its isolated infinitely dilute ions form strong solvation structures in SCW. even though the water eater hydrogen bonding is not affected Within the context of the models we are using. there is strong indication of a high degree of Na+ CI ion pairing.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 43 (1997), S. 3260-3263 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 35 (1989), S. 725-736 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Simulated annealing is a multivariable optimization technique based on the Monte Carlo method used in statistical mechanical studies of condensed systems and follows by drawing an analogy between energy minimization in physical systems and costs minimization in design applications. In this paper, simulated annealing is introduced and reviewed. The utility of the method for optimization of chemical processes is illustrated by applying it to the design of pressure relief header networks and heat exchanger networks.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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