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Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Sadus, Richard J.
(2022).
Accurate determination of solid-liquid equilibria by molecular simulation: Behavior of Ne, Ar, Kr, and Xe from low to high pressures.
J. Chem. Phys., 157 (20).
MELVILLE:
AIP Publishing.
ISSN 1089-7690
Bell, Ian H., Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Jager, Andreas
(2022).
Algorithm to Identify Vapor-Liquid-Liquid Equilibria of Binary Mixtures from Vapor-Liquid Equilibria.
Ind. Eng. Chem. Res., 61 (6).
S. 2592 - 2600.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 0888-5885
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Sadus, Richard J.
(2022).
First-principles determination of the solid-liquid-vapor triple point: The noble gases.
Phys. Rev. E, 105 (5).
COLLEGE PK:
AMER PHYSICAL SOC.
ISSN 2470-0053
Bell, Ian H., Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Leal, Allan M. M.
(2022).
Implementing an Equation of State without Derivatives: teqp.
Ind. Eng. Chem. Res., 61 (17).
S. 6010 - 6028.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 0888-5885
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Sadus, Richard J.
(2020).
Ab Initio Interatomic Potentials and the Classical Molecular Simulation Prediction of the Thermophysical Properties of Helium.
J. Phys. Chem. B, 124 (11).
S. 2268 - 2277.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 1520-5207
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Bell, Ian H.
(2020).
Calculation of Critical Curves of Fluid Mixtures through Solution of Differential Equations.
Ind. Eng. Chem. Res., 59 (42).
S. 19062 - 19077.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 0888-5885
Stephan, Simon ORCID: 0000-0002-4578-3569 and Deiters, Ulrich K.
ORCID: 0000-0001-7669-5847
(2020).
Characteristic Curves of the Lennard-Jones Fluid.
Int. J. Thermophys., 41 (10).
NEW YORK:
SPRINGER/PLENUM PUBLISHERS.
ISSN 1572-9567
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Bell, Ian H.
(2020).
Unphysical Critical Curves of Binary Mixtures Predicted with GERG Models.
Int. J. Thermophys., 41 (12).
NEW YORK:
SPRINGER/PLENUM PUBLISHERS.
ISSN 1572-9567
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Bell, Ian H.
ORCID: 0000-0003-1091-9080
(2020).
Unphysical critical curves of binary mixtures predicted with GERG models.
International Journal of Thermophysics, 41.
p. 169.
SPRINGER/PLENUM PUBLISHERS.
ISSN 1572-9567
Van Tat, Pham and Deiters, Ulrich K. ORCID: 0000-0001-7669-5847
(2019).
Calculation of cross second virial coefficients using ab initio intermolecular potential energy surfaces for dimer H-2-N-2.
Chem. Phys., 517.
S. 208 - 222.
AMSTERDAM:
ELSEVIER.
ISSN 1873-4421
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Bell, Ian H.
(2019).
Calculation of phase envelopes of fluid mixtures through parametric marching.
AICHE J., 65 (11).
HOBOKEN:
WILEY.
ISSN 1547-5905
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Sadus, Richard J.
(2019).
Fully a priori prediction of the vapor-liquid equilibria of Ar, Kr, and Xe from ab initio two-body plus three-body interatomic potentials.
J. Chem. Phys., 151 (3).
MELVILLE:
AMER INST PHYSICS.
ISSN 1089-7690
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847
(2019).
Modelling Supercritical Phase Equilibria: Problems and Pitfalls.
Period. Polytech.-Chem. Eng., 63 (2).
S. 261 - 270.
BUDAPEST:
BUDAPEST UNIV TECHNOLOGY ECONOMICS.
ISSN 1587-3765
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847
(2019).
Thermodynamic Properties of Vapor-Liquid Equilibria from Monte-Carlo Simulation using ab initio Intermolecular Potentials of Systems H-2-H-2 and F-2-F-2.
Z. Phys. Chemie-Int. J. Res. Phys. Chem. Chem. Phys., 233 (4).
S. 493 - 526.
BERLIN:
WALTER DE GRUYTER GMBH.
ISSN 0942-9352
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Sadus, Richard J.
(2019).
Two-body interatomic potentials for He, Ne, Ar, Kr, and Xe from ab initio data.
J. Chem. Phys., 150 (13).
MELVILLE:
AMER INST PHYSICS.
ISSN 1089-7690
Gyorke, Gabor, Deiters, Ulrich K. ORCID: 0000-0001-7669-5847, Groniewsky, Axel
ORCID: 0000-0002-7966-4218, Lassu, Imre and Imre, Attila R.
ORCID: 0000-0003-4604-5899
(2018).
Novel classification of pure working fluids for Organic Rankine Cycle.
Energy, 145.
S. 288 - 301.
OXFORD:
PERGAMON-ELSEVIER SCIENCE LTD.
ISSN 1873-6785
Bell, Ian H. and Deiters, Ulrich K. ORCID: 0000-0001-7669-5847
(2018).
On the construction of binary mixture p-x and T-x diagrams from isochoric thermodynamics.
AICHE J., 64 (7).
S. 2745 - 2758.
HOBOKEN:
WILEY.
ISSN 1547-5905
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847
(2017).
Calculation of second virial coefficients using ab initio intermolecular pair potentials for F-2-F-2 and H-2-F-2 dimers.
Chem. Phys., 485.
S. 67 - 81.
AMSTERDAM:
ELSEVIER SCIENCE BV.
ISSN 1873-4421
Detmar, Eric, Nezhad, Simin Yazdi and Deiters, Ulrich K. ORCID: 0000-0001-7669-5847
(2017).
Determination of the Residual Entropy of Simple Mixtures by Monte Carlo Simulation.
Langmuir, 33 (42).
S. 11603 - 11611.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 0743-7463
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847
(2017).
Differential equations for the calculation of isopleths of multicomponent fluid mixtures.
Fluid Phase Equilib., 447.
S. 72 - 84.
AMSTERDAM:
ELSEVIER SCIENCE BV.
ISSN 1879-0224
Nezhad, Simin Yazdi and Deiters, Ulrich K. ORCID: 0000-0001-7669-5847
(2017).
Estimation of the entropy of fluids with Monte Carlo computer simulation.
Mol. Phys., 115 (9-12).
S. 1074 - 1086.
ABINGDON:
TAYLOR & FRANCIS LTD.
ISSN 1362-3028
Neumaier, Arnold ORCID: 0000-0002-8328-9641 and Deiters, Ulrich K.
ORCID: 0000-0001-7669-5847
(2016).
The Characteristic Curves of Water.
Int. J. Thermophys., 37 (9).
NEW YORK:
SPRINGER/PLENUM PUBLISHERS.
ISSN 1572-9567
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847
(2016).
Comments on the Heidaryan-Jarrahian variant of the Redlich-Kwong equation of state.
J. Supercrit. Fluids, 117.
S. 13 - 18.
AMSTERDAM:
ELSEVIER SCIENCE BV.
ISSN 1872-8162
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Neumaier, Arnold
ORCID: 0000-0002-8328-9641
(2016).
Computer Simulation of the Characteristic Curves of Pure Fluids.
J. Chem. Eng. Data, 61 (8).
S. 2720 - 2729.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 0021-9568
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847
(2016).
Differential equations for the calculation of fluid phase equilibria.
Fluid Phase Equilib., 428.
S. 164 - 174.
AMSTERDAM:
ELSEVIER SCIENCE BV.
ISSN 1879-0224
Imre, Attila R. ORCID: 0000-0003-4604-5899, Quinones-Cisneros, Sergio E.
ORCID: 0000-0002-2872-5033 and Deiters, Ulrich K.
ORCID: 0000-0001-7669-5847
(2015).
Adiabatic Processes in the Vapor-Liquid Two-Phase Region. 2. Binary Mixtures.
Ind. Eng. Chem. Res., 54 (25).
S. 6559 - 6569.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 0888-5885
Imre, A. R., Ramboz, C., Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Kraska, T.
(2015).
Anomalous fluid properties of carbon dioxide in the supercritical region: application to geological CO2 storage and related hazards.
Environ. Earth Sci., 73 (8).
S. 4373 - 4385.
NEW YORK:
SPRINGER.
ISSN 1866-6299
Imre, A. R., Ramboz, C., Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Kraska, T.
(2015).
Anomalous fluid properties of carbon dioxide in the supercritical region: application to geological CO2 storage and related hazards.
Environ. Earth Sci., 73 (8).
S. 4373 - 4385.
NEW YORK:
SPRINGER.
ISSN 1866-6299
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847
(2015).
Calculation of intermolecular potentials for H-2-H-2 and H-2-O-2 dimers ab initio and prediction of second virial coefficients.
Chem. Phys., 457.
S. 171 - 180.
AMSTERDAM:
ELSEVIER SCIENCE BV.
ISSN 1873-4421
Ramirez-Gonzalez, Patsy V., Quinones-Cisneros, Sergio E. ORCID: 0000-0002-2872-5033 and Deiters, Ulrich K.
ORCID: 0000-0001-7669-5847
(2015).
Chemical potentials and phase equilibria of Lennard-Jones chain fluids.
Mol. Phys., 113 (1).
S. 28 - 36.
ABINGDON:
TAYLOR & FRANCIS LTD.
ISSN 1362-3028
Imre, Attila R. ORCID: 0000-0003-4604-5899, Quinones-Cisneros, Sergio E.
ORCID: 0000-0002-2872-5033 and Deiters, Ulrich K.
ORCID: 0000-0001-7669-5847
(2014).
Adiabatic Processes in the Liquid-Vapor Two-Phase Region. 1. Pure Fluids.
Ind. Eng. Chem. Res., 53 (34).
S. 13529 - 13543.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 0888-5885
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Macias-Salinas, Ricardo
(2014).
Calculation of Densities from Cubic Equations of State: Revisited.
Ind. Eng. Chem. Res., 53 (6).
S. 2529 - 2537.
WASHINGTON:
AMER CHEMICAL SOC.
ISSN 0888-5885
Roeben, Eric, Roeder, Lisa, Teusch, Sandra, Effertz, Marc, Deiters, Ulrich K. ORCID: 0000-0001-7669-5847 and Schmidt, Annette M.
(2014).
Magnetic particle nanorheology.
Colloid Polym. Sci., 292 (8).
S. 2013 - 2024.
NEW YORK:
SPRINGER.
ISSN 1435-1536
Quinones-Cisneros, Sergio E. ORCID: 0000-0002-2872-5033 and Deiters, Ulrich K.
ORCID: 0000-0001-7669-5847
(2012).
An efficient algorithm for the calculation of phase envelopes of fluid mixtures.
Fluid Phase Equilib., 329.
S. 22 - 32.
AMSTERDAM:
ELSEVIER SCIENCE BV.
ISSN 1879-0224
Deiters, Ulrich K. ORCID: 0000-0001-7669-5847
(2012).
The isothermal van't Hoff equation for phase equilibria-A forgotten relation?
Fluid Phase Equilib., 336.
S. 22 - 28.
AMSTERDAM:
ELSEVIER SCIENCE BV.
ISSN 0378-3812