The Determination and Statistical Mechanical Interpretation of the Solubility of Water in Benzene, Carbon Tetrachloride, and Cyclohexane

1974 ◽  
Vol 52 (9) ◽  
pp. 1668-1680 ◽  
Author(s):  
Saul Goldman
Keyword(s):  
Perturbation Theory ◽  
Carbon Tetrachloride ◽  
Water System ◽  
Water Systems ◽  
Hydrogen Bonding Interaction ◽  
Mechanical Theory ◽  
Water Solvent ◽  
Bonding Interaction ◽  
Statistical Mechanical ◽  
Mechanical Interpretation

The solubility of water in each of benzene, carbon tetrachloride, and cyclohexane, was determined at 5° intervals over the range 10 to 40 °C. The solubilities were converted to Henry's law constants and these constants were interpreted by means of a statistical mechanical theory based on Zwanzig's perturbation theory of fluids. A fitting-parameter in the form of a correction factor to the water–solvent pairwise potential function was required. The values of this parameter for the benzene–water and cyclohexane–water systems could be rationalized on the basis of anisotropy of solvent polarizability. The values of the parameter for the carbon tetrachloride – water system were consistent with a hydrogen-bonding interaction between water and carbon tetrachloride.

The mutual diffusion coefficient for binary mixtures of water and the isomers of propanol

1975 ◽  
Vol 342 (1630) ◽  
pp. 401-419 ◽  
Keyword(s):  
Diffusion Coefficient ◽  
Constant Temperature ◽  
Composition Range ◽  
Local Maximum ◽  
Water Systems ◽  
Mutual Diffusion ◽  
Mutual Diffusion Coefficient ◽  
Mechanical Theory ◽  
Statistical Mechanical ◽  
Rich Mixtures

Measurements of the mutual diffusion coefficient of the n -propanol-water and isopropanol-water systems have been performed at a pressure of 10 5 Pa by means of a flow technique. The results extend over the complete composition range for the mixtures and over the temperature range 25-65 °C. The reported diffusivities have an estimated uncertainty of + 2.5% Both the systems studied exhibit the minimum in the diffusivity as a function of composition at constant temperature which is characteristic of alcoho-lwater mixtures. In addition, a local maximum in the diffusivity occurs along an isotherm for alcohol-rich mixtures; this type of behaviour has not been observed hitherto. The data are compared with other transport and equilibrium properties for the mixtures, and with a simplified form of the statistical mechanical theory.

Statistical Mechanical Theory of the Coagel-Gel Phase Transition in Ionic Surfactant/Water Systems

1994 ◽  
Vol 98 (24) ◽  
pp. 6187-6194 ◽  
Author(s):  
Masaru Tsuchiya ◽  
Kaoru Tsujii ◽  
Kazuo Maki ◽  
Toyoichi Tanaka
Keyword(s):  
Phase Transition ◽  
Water Systems ◽  
Ionic Surfactant ◽  
Mechanical Theory ◽  
Statistical Mechanical ◽  
Gel Phase

Radical Enzymes Control the Chemistry of Their Highly Reactive Intermediates Using the Quantum Coulombic Effect

2020 ◽  
Author(s):  
Hossein Khalilian ◽  
Gino A. DiLabio
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Orbital ◽  
Reactive Intermediates ◽  
Hydrogen Bonding Interaction ◽  
Orbital Ordering ◽  
Dynamic Nature ◽  
Radical Intermediate ◽  
Highest Occupied Molecular Orbital ◽  
Bonding Interaction ◽  
Close Proximity

Here, we report an exquisite strategy that the B12 enzymes exploit to manipulate the reactivity of their radical intermediate (Adenosyl radical). Based on the quantum-mechanic calculations, these enzymes utilize a little known long-ranged through space quantum Coulombic effect (QCE). The QCE causes the radical to acquire an electronic structure that contradicts the Aufbau Principle: The singly-occupied molecular orbital (SOMO) is no longer the highest-occupied molecular orbital (HOMO) and the radical is unable to react with neighbouring substrates. The dynamic nature of the enzyme and its structure is expected to be such that the reactivity of the radical is not restored until it is moved into close proximity of the target substrate. We found that the hydrogen bonding interaction between the nearby conserved glutamate residue and the ribose ring of Adenosyl radical plays a crucial role in manipulating the orbital ordering

Radical Enzymes Control the Chemistry of Their Highly Reactive Intermediates Using the Quantum Coulombic Effect

2020 ◽  
Author(s):  
Hossein Khalilian ◽  
Gino A. DiLabio
Keyword(s):  
Hydrogen Bonding ◽  
Molecular Orbital ◽  
Reactive Intermediates ◽  
Hydrogen Bonding Interaction ◽  
Orbital Ordering ◽  
Dynamic Nature ◽  
Radical Intermediate ◽  
Highest Occupied Molecular Orbital ◽  
Bonding Interaction ◽  
Close Proximity

Here, we report an exquisite strategy that the B12 enzymes exploit to manipulate the reactivity of their radical intermediate (Adenosyl radical). Based on the quantum-mechanic calculations, these enzymes utilize a little known long-ranged through space quantum Coulombic effect (QCE). The QCE causes the radical to acquire an electronic structure that contradicts the Aufbau Principle: The singly-occupied molecular orbital (SOMO) is no longer the highest-occupied molecular orbital (HOMO) and the radical is unable to react with neighbouring substrates. The dynamic nature of the enzyme and its structure is expected to be such that the reactivity of the radical is not restored until it is moved into close proximity of the target substrate. We found that the hydrogen bonding interaction between the nearby conserved glutamate residue and the ribose ring of Adenosyl radical plays a crucial role in manipulating the orbital ordering

Sewers and the Quality of Canals and Ditches in Amsterdam

1993 ◽  
Vol 27 (5-6) ◽  
pp. 61-67 ◽  
Author(s):  
E. Jacobs ◽  
J. W. van Sluis
Keyword(s):  
Water Quality ◽  
Surface Water ◽  
Sediment Quality ◽  
Water System ◽  
Water Systems ◽  
Sewer System ◽  
Water And Sediment ◽  
Combined Sewer ◽  
Water And Sediment Quality

The surface water system of Amsterdam is very complicated. Of two characteristic types of water systems the influences on water and sediment quality are investigated. The importance of the sewer output to the total loads is different for both water systems. In a polder the load from the sewers is much more important than in the canal basin. Measures to reduce the emission from the sewers are much more effective in a polder. The effect of these measures on sediment quality is more than the effect on water quality. Some differences between a combined sewer system and a separate sewer system can be found in sediment quality.

Design of rural water systems using dynamic models

1999 ◽  
Vol 39 (4) ◽  
pp. 221-231
Author(s):  
A. H. Lobbrecht
Keyword(s):  
Dynamic Models ◽  
Water System ◽  
Design Procedure ◽  
Real Data ◽  
Water Systems ◽  
Design Methods ◽  
Water Quality Criteria ◽  
Rural Water ◽  
Rural Water Systems ◽  
The Way

The properties of main water ways and infrastructure of rural water systems are often determined by very general design methods. These methods are based on standards that use only little information of the actual water system. Most design methods applied in the Netherlands are based on land use and soil texture. Standards have been developed on the basis of generalized properties of water systems. Details of the actual layout of the water system and the way in which that system is controlled, are usually not incorporated. Present-day dynamic simulation programs and the computer power currently available enable more detailed modeling and incorporation of location-specific data into models. Such models can be used to design the water system and can include real data. A model-based design method is introduced, in which the actual situation of the water system is taken into consideration as well as the way in which the water system is controlled. Stochastics concerning the operation and availability of controlling infrastructure are included in the method. Models can be evaluated by including real data. In this way the actual safety of the water system, for example during floods, can be determined. Water-quantity design criteria can be incorporated as well as water-quality criteria. Application of the method makes it possible to design safe water systems in which excess capacities are avoided and in which all requirements of interest are met. The method, called the ‘dynamic design procedure’, can result in considerable savings for water authorities when new systems have to be designed or existing designs have to be reconsidered.

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