Ideal-gas and saturation properties of methanol

Craven, Robert; Reuck, K. M. de

doi:10.1007/bf00502388

Cited by 13 publications

(3 citation statements)

References 24 publications

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“…In addition, since it is the first member of the homologous series of alkanols, its physical properties will help to characterize the properties of the series as a whole. 27,58 Although a reference-quality equation of state has been developed for the thermodynamic properties of methanol, 28 a comprehensive study of the viscosity of methanol has not yet been carried out. This work fills this gap by selecting the most reliable measurements as the basis for a new reference correlation for the viscosity of methanol that is valid over the entire fluid region for vapor, liquid, and supercritical states.…”

Section: Introductionmentioning

confidence: 99%

A New Reference Correlation for the Viscosity of Methanol

Xiang¹,

Laesecke²,

Huber³

2006

Journal of Physical and Chemical Reference Data

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A new reference-quality correlation for the viscosity of methanol is presented that is valid over the entire fluid region, including vapor, liquid, and metastable phases. To describe the zero-density viscosity with kinetic theory for polar gases, a new expression for the collision integral of the Stockmayer potential is introduced. The initial density dependence is based on the Rainwater-Friend theory. A new correlation for the third viscosity virial coefficient is developed from experimental data and applied to methanol. The high-density contribution to the viscosity is based on the Chapman-Enskog theory and includes a new expression for the hard-sphere diameter that is a function of both temperature and density. The resulting correlation is applicable for temperatures from the triple point to 630 K at pressures up to 8 GPa. The estimated uncertainty of the resulting correlation ͑with a coverage factor of 2͒ varies from 0.6% in the dilute-gas phase between room temperature and 630 K, to less than 2% for the liquid phase at pressures up to 30 MPa at temperatures between 273 and 343 K, 3% for pressures from 30 to 100 MPa, 5% for the liquid from 100 to 500 MPa, and 10% between 500 MPa and 4 GPa. At very high pressures, from 4 to 8 GPa, the correlation has an estimated uncertainty of 30% and can be used to indicate qualitative behavior. © 2006 by the U.S. Secretary of Commerce on behalf of the United States. All rights reserved.

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Section: Introductionmentioning

confidence: 99%

A New Reference Correlation for the Viscosity of Methanol

Xiang¹,

Laesecke²,

Huber³

2006

Journal of Physical and Chemical Reference Data

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“…The compressibility of the fluid inside the heat exchangers is neglected for simplicity, leading to trivial mass balance equations. On the other hand, an accurate model of the relationship between the temperature and the specific energy and enthalpy was developed using Modelica functions, using results from (Craven and de Reuck 1986).…”

Section: Heat Exchanger Network With Methanolmentioning

confidence: 99%

MARCO: An Experimental High-Performance Compiler for Large-Scale Modelica Models

Agosta,

Casella,

Cattaneo

et al. 2023

Linköping Electronic Conference Proceedings

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This paper introduces MARCO, a research compiler aimed at the efficient generation of efficient simulation code from a large-scale Modelica model. MARCO’s design goals, requirements, and specifications are dis- cussed in the paper, as well as the software architec- ture, the current development status, and a future develop- ment roadmap. The results of two test cases demonstrate MARCO’s capability to handle non-trivial Modelica mod- els with over 10 million equations very efficiently.

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“…For methanol molecule α = 3.2 Å 3 [16], I = 10.85 eV [16], ÃD = 2.864. Here, 6 , T c = 512.6 K is the critical temperature of methanol [17], r (m) OO = 2.95 Å is the distance between oxygens in methanol dimer according to the calculations in 6-31G* basis [18].…”

Section: A) Repulsion and Dispersive Interactionmentioning

confidence: 99%

Modelling of potentials for interparticle interactions between methanol molecules

Malomuzh¹,

Timofeev²

2017

Condens. Matter Phys.

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Peculiarities of interparticle interactions between methanol molecules in the methanol vapor are investigated. The bare potential is considered as a sum of repulsive, dispersive and electrostatic forces. It is supposed that H-bond is of electrostatic nature (the irreducible contribution caused by overlapping of electronic shells is unessential). The dispersive interaction is approximated with London's formula, the electrostatic interaction is modelled by a multipole expansion up to dipole-octupole contribution. The multipole moments are assumed to be equal to their experimental values or to quantum chemical calculations. The repulsion is modelled by power potential, whose parameters are fitted to the second virial coefficient and to the parameters of dimers. Along with the bare potential, the averaged potential of interparticle interaction is analyzed. It is shown that the repulsive potential has an exponent n = 28. The multipole potential, presented in this paper, is scrupulously compared with the potential known as the OPLS.

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Ideal-gas and saturation properties of methanol

Cited by 13 publications

References 24 publications

A New Reference Correlation for the Viscosity of Methanol

A New Reference Correlation for the Viscosity of Methanol

MARCO: An Experimental High-Performance Compiler for Large-Scale Modelica Models

Modelling of potentials for interparticle interactions between methanol molecules

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