Search Results - "Thol, Monika"
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Thermophysical Properties of the Lennard-Jones Fluid: Database and Data Assessment
Published in Journal of chemical information and modeling (28-10-2019)“…Literature data on the thermophysical properties of the Lennard-Jones fluid, which were sampled with molecular dynamics and Monte Carlo simulations, were…”
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Dynamic Viscosity of Binary Fluid Mixtures: A Review Focusing on Asymmetric Mixtures
Published in International journal of thermophysics (01-11-2021)“…A literature review on experimental data for binary mixtures of methane and carbon dioxide with hydrocarbons up to n -hexadecane is presented. Based on these…”
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Equation of State for the Thermodynamic Properties of trans-1,3,3,3-Tetrafluoropropene [R-1234ze(E)]
Published in International journal of thermophysics (01-03-2016)“…An equation of state for the calculation of the thermodynamic properties of the hydrofluoroolefin refrigerant R-1234ze(E) is presented. The equation of state…”
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Enhancement of the Lee–Kesler–Plöcker Equation of State for Calculating Thermodynamic Properties of Long-Chain Alkanes
Published in International journal of thermophysics (01-05-2024)“…Two optimization approaches to correct the physical limitations of the Lee–Kesler–Plöcker equation of state for the application to long-chain hydrocarbons are…”
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Fundamental Equation of State for Fluid Tetrahydrofuran
Published in International journal of thermophysics (01-10-2023)“…An empirical fundamental equation of state in terms of the Helmholtz energy for tetrahydrofuran is presented. In the validity range from the triple-point…”
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Linking Viscosity to Equations of State Using Residual Entropy Scaling Theory
Published in International journal of thermophysics (01-12-2022)“…In our previous work (J Chem Eng Data 2021, 66(3):1385–1398), a residual entropy scaling (RES) approach was developed to link viscosity to residual entropy [a…”
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A Fundamental Equation of State for Chloroethene for Temperatures from the Triple Point to 430 K and Pressures to 100 MPa
Published in International journal of thermophysics (01-03-2022)“…A fundamental equation of state in terms of the Helmholtz energy is presented for chloroethene (vinyl chloride). Due to its fundamental nature, it can be used…”
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Correction to: Fundamental Equation of State for Fluid Tetrahydrofuran
Published in International journal of thermophysics (2023)Get full text
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Combination of Gibbs and Helmholtz Energy Equations of State in a Multiparameter Mixture Model Using the IAPWS Seawater Model as an Example
Published in International journal of thermophysics (01-03-2022)“…For carbon capture and storage (CCS) applications different sets of equations of state are used to describe the whole CCS-chain. While for the transport and…”
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Thermodynamic Properties of Methyl Diethanolamine
Published in International journal of thermophysics (2022)“…The homogeneous density of the liquid phase is experimentally investigated for methyl diethanolamine. Data are obtained along five isotherms in a temperature…”
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EOS-CG-2021: A Mixture Model for the Calculation of Thermodynamic Properties of CCS Mixtures
Published in International journal of thermophysics (01-12-2023)“…Thermodynamic properties for CCS-relevant mixtures can be calculated with the fundamental equation of state presented in this work over wide ranges of…”
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12
Group Contribution Method for the Residual Entropy Scaling Model for Viscosities of Branched Alkanes
Published in International journal of thermophysics (01-12-2023)“…In this work it is shown how the entropy scaling paradigm introduced by Rosenfeld (Phys Rev A 15:2545–2549, 1977, https://doi.org/10.1103/PhysRevA.15.2545 )…”
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Modified Entropy Scaling of the Transport Properties of the Lennard-Jones Fluid
Published in The journal of physical chemistry. B (25-07-2019)“…Rosenfeld proposed two different scaling approaches to model the transport properties of fluids, separated by 22 years, one valid in the dilute gas, and…”
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14
How well does the Lennard-Jones potential represent the thermodynamic properties of noble gases?
Published in Molecular physics (18-06-2017)“…The Lennard-Jones potential as well as its truncated and shifted (r c = 2.5σ) variant are applied to the noble gases neon, argon, krypton, and xenon. These…”
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Molecular Models for the Hydrogen Age: Hydrogen, Nitrogen, Oxygen, Argon, and Water
Published in Journal of chemical and engineering data (08-02-2018)“…Thermodynamic properties including the phase behavior of all mixtures containing hydrogen, the main air components nitrogen, oxygen, and argon, as well as…”
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How well does the Tang-Toennies potential represent the thermodynamic properties of argon?
Published in Molecular physics (03-06-2022)“…The potential function suggested by Tang and Toennies is parametrised to represent the thermodynamic properties of argon. The fit of its parameters is carried…”
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A new model combining Helmholtz energy equations of state with excess Gibbs energy models to describe reactive mixtures
Published in Chemical engineering science (28-04-2022)“…•Combination of Helmholtz energy and excess Gibbs energy.•Simultaneous calculation of phase and chemical equilibrium with one equation of state.•Description of…”
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A fundamental equation of state for the calculation of thermodynamic properties of chlorine
Published in AIChE journal (01-09-2021)“…A fundamental equation of state is presented for the calculation of thermodynamic properties of chlorine. It is expressed in terms of the Helmholtz energy with…”
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Equation of State for the Lennard-Jones Truncated and Shifted Model Fluid
Published in International journal of thermophysics (2015)“…An equation of state is developed for the Lennard-Jones model fluid, truncated and shifted at r c = 2.5 σ . The underlying dataset contains thermodynamic…”
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Equations of State for the Thermodynamic Properties of n‑Perfluorobutane, n‑Perfluoropentane, and n‑Perfluorohexane
Published in Industrial & engineering chemistry research (01-12-2021)“…Helmholtz energy equations of state with independent variables of temperature and density were developed for n-perfluorobutane, n-perfluoropentane, and…”
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