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From Realistic to Simple Models of Associating Fluids. II. Primitive Models of Ammonia, Ethanol and Models of Water Revisited
It is shown that the developed primitive models, despite their simplicity and lack of any long-range interactions, are able to reproduce the structural properties (the set of the siteůsite correlation functions) of the parent realis...
CF - Fyzikální chemie a teoretická chemie
- 2004 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes
in solutions of electrolytes, a simple short-range model (SSM) of electrolytes made up of primitive water and primitive ions (i.e., ions whose Coulombic interaction with water the potential of mean force. The sizes of the ...
BL - Fyzika plasmatu a výboje v plynech
- 2005 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Excess Properties of Aqueous Mixtures of Methanol: Simple Models Versus Experiment.
Molecular simulations on water-methanol mixtures were performed over the entire concentration range using primitive models that descend from realistic molecular models of both compounds. Since the primitive mod...
CF - Fyzikální chemie a teoretická chemie
- 2007 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Lower virial coefficients of primitive models of polar and associating fluids
coefficients of primitive models of four associating fluids (ammonia, ethanol, methanolWith respect to technical problems associated with simulations of primitive models of polar and associating fluids at low temp...
BJ - Termodynamika
- 2007 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
From Realistic to Primitive Models: A Primitive Model of Methanol
An attempt to develop a methodology to construct a primitive model which descents directly from a parent realistic short-range model and reproduces its structural properties of has been made. The realistic three-site OPLS <...
CF - Fyzikální chemie a teoretická chemie
- 2003 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
From Realistic to Simple Models of Fluids III. Primitive Models of Carbon Dioxide, Hydrogen Sulphide, and Acetone, and Their Properties
Recently developed methodology to construct primitive models of associating fluids as direct descendants of complex realistic intermolecular potential functions properties (in terms of the site-site correlation functions) of the
CF - Fyzikální chemie a teoretická chemie
- 2005 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Potential of Mean Force between Ions Infinitely Diluted Simple Short-Range Models of Aqueous Electrolytes
in solutions of electrolytes, a simple short-range (SSR) model of electrolytes made up of primitive water and primitive ions (i.e., ions whose Coulombic interaction with water the potential of mean force. The size of the <...
CF - Fyzikální chemie a teoretická chemie
- 2005 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Derivation of the inviscid compressible Primitive Equations
Primitive Equations (PE) are an important model which is widely used in the geophysical research and the mathematical analysis. In the previous results, people derive PE from the Navier–Stokes or the Euler system by an asymptotic an...
Pure mathematics
- 2023 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
Thermophysical Properties of Fluids: From Realistic to Simple Models and their Applications
models upon which a perturbation theory may be developed. An attempt to develop a methodology to construct such models (called primitive models) directly from the parent, and carbon dioxide. It is shown that the s...
CH - Jaderná a kvantová chemie, fotochemie
- 2004 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
A family of primitive models of water: Three-,four-and five-site models.
Annotation not available...
CF - Fyzikální chemie a teoretická chemie
- 1997 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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