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Ioannis
Tsivintzelis Associate
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Laboratory of Physical Chemistry Department of Chemical Engineering Aristotle University of Thessaloniki |
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Home / Research Interests / Evaluation and Development of
Thermodynamic models |
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Evaluation and Development of Thermodynamic models Modeling of mixtures
with non-ideal behavior
(systems with polymers, pharmaceuticals, supercritical fluids,
ionic liquids, and hydrogen bonding fluids) |
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Relevant Publications Kontos, G., Leontiadis, K., Tsivintzelis, I., CO2
solubility in aqueous solutions of blended amines: Experimental data for
mixtures with MDEA, AMP and MPA and modeling with the modified Kent-Eisenberg
model (2023) Fluid Phase Equilibria, 570, 113800, https://doi.org/10.1016/j.fluid.2023.113800 Tzirakis F,
Papadopoulos A.I., Seferlis P, Tsivintzelis I, CO2 Solubility
in Aqueous N-methylcyclohexylamine (MCA) and
N-cyclohexyl-1,3-propanediamine (CHAP) Solutions, (2023) AIChE Journal, Accepted for
publication, DOI: 10.1002/aic.17982 Perdomo F.A.,
Khalit S.H., Graham E.J., Tzirakis
F., Papadopoulos A.I., Tsivintzelis I., Seferlis
P., Adjiman C.S., Jackson G., Galindo A., A
predictive group-contribution framework for the thermodynamic modelling of CO2
absorption in cyclic amines, alkyl polyamines, alkanolamines and phase-change
amines: New data and SAFT-ã Mie parameters. (2023) Fluid Phase
Equilibria, 566, 113635, https://doi.org/10.1016/j.fluid.2022.113635 Kontos G., Soldatou
M.-A., Tzimpilis E., Tsivintzelis I., Solubility of
CO2 in 2-amino-2-methyl-1-propanol (AMP) and
3-(methylamino)propylamine (MAPA): Experimental investigation and modeling
with the Cubic-Plus-Association and the modified Kent-Eisenberg models. (2022)
Separations, 3, 338. https://doi.org/10.3390/separations9110338 Tsivintzelis
I., Koutsou G., Kontogeorgis
G.M., Modeling Binary and Multicomponent Systems Containing Supercritical CO2
with Polyethylene Glycols and Compounds Relevant to the Biodiesel Production.
(2022) Molecules 27, 5785. https://www.mdpi.com/1420-3049/27/18/5785 Tzirakis F,
Papadopoulos A.I., Seferlis P, Tsivintzelis I, CO2 Solubility in
Diethylenetriamine (DETA) and Triethylenetetramine (TETA) aqueous mixtures:
Experimental Investigation and Correlation Using the CPA Equation of State, (2021)
Chemical Thermodynamics and Thermal Analysis, Vol 3-4, 100017 https://doi.org/10.1016/j.ctta.2021.100017 Tsivintzelis I., Karakatsani
E., Kontogeorgis G.M. Costa Tsonopoulos
– his legacy and some personal reflections on cubic equations of state and
beyond, (2021) Fluid
Phase Equilibria, 533, 112895. Kontogeorgis
G.M., Liang X., Arya A., Tsivintzelis I., Equations
of State in Three Centuries. Are we closer to arriving to a single model for
all applications?
(2020) Chemical Engineering Science: X, 7, 100060. Tsivintzelis, I., Ali, S., Kontogeorgis, G.M. Modeling systems relevant to the
biodiesel production using the CPA equation of state. Part 2. Systems with
Supercritical CO2, (2019) Fluid Phase Equilibria,
In Press. Leontiadis K, Tzimpilis E.,
Aslanidou D., Tsivintzelis I., (2019) Solubility of CO2 in 3-amino-1-propanol and in N-methyldiethanolamine aqueous solutions: Experimental
investigation and correlation using the CPA equation of state, Fluid Phase Equilibria, 500, 112254 Tsivintzelis,
I., Bjørner,
M.G., Kontogeorgis, G.M. Recent advances with
association models for practical applications, (2018) Molecular
Physics, 116 (15-16), pp. 1921-1944. DOI: 10.1080/00268976.2018.1465604 Tsivintzelis, I., Kontogeorgis,
G.M., Panayiotou, C., Dimerization of Carboxylic Acids: An Equation of State
Approach (2017) Journal of Physical Chemistry B, 121 (9), pp. 2153-2163. Tsivintzelis, I., Ali, S., Kontogeorgis, G.M. Modeling systems relevant to the
biodiesel production using the CPA equation of state, (2016) Fluid
Phase Equilibria, 430, pp. 75-92. [Abstract and full text] Awan, J.A., Coquelet, C., Tsivintzelis, I., Kontogeorgis, G., Phase Equilibrium Measurements and Modeling of 1-Propanethiol +1-Butanethiol + CH4 in Methane Ternary System at 303, 336, and 368 K and
Pressure up to 9 MPa, (2016) Journal of Chemical and Engineering Data, 61 (1), pp.
41-44. [Abstract and full text] Tsivintzelis I., Kontogeorgis G.M.,
Modelling phase equilibria for acid gas mixtures using the CPA equation of
state. Part VI. Multicomponent mixtures with glycols relevant to oil and gas
and to liquid or supercritical CO2 transport applications, (2016) Journal of Chemical Thermodynamics, 93, pp. 305–319. [Abstract and full text] Liang X, Maribo-Mogensen B., Tsivintzelis I., Kontogeorgis
G.M., A comment on water's structure using monomer fraction data and
theories, (2016) Fluid Phase Equilibria, 407, pp. 2-6. [Abstract and full
text] Tsivintzelis, I., Kontogeorgis,
G.M. Modelling phase equilibria for acid gas mixtures using the CPA equation
of state. Part V: Multicomponent mixtures containing CO2 and
alcohols, (2015) Journal of Supercritical Fluids, 104,
pp 29-39. [Abstract and full text] Tsivintzelis, I., Ali, S., Kontogeorgis,
G.M. Modeling phase equilibria for acid gas mixtures using the CPA equation
of state. Part IV. Applications to mixtures of CO2 with alkanes, (2015) Fluid Phase Equilibria, 397,
pp. 1-17. [Abstract and full text] Liang X., Tsivintzelis I., Kontogeorgis G.M., Modeling Water Containing Systems with
the Simplified PC-SAFT and CPA Equations of State, (2014) Industrial and Engineering Chemistry Research, 53 (37), pp
14493–14507. [Abstract and full text] Arya A., Maribo-Mogensen B., Tsivintzelis I., Kontogeorgis G.M., Process Design of Industrial Triethylene Glycol Processes Using the
Cubic-Plus-Association (CPA) Equation of State, (2014), Industrial and Engineering Chemistry Research, 53 (29), pp 11766–11778 [Abstract and full text] Tsivintzelis I., Shahid A., Kontogeorgis G.M., Modeling Modeling phase equilibria for acid gas mixtures using the
CPA equation of state. Part 3. Applications relevant to liquid or
supercritical CO2 transport, (2014)
Journal of Chemical & Engineering
Data, 59
(10), pp 2955–2972 [Abstract and full text] Tsivintzelis I., Kontogeorgis G.M., “On the predictive capabilities of CPA
for applications in the chemical industry: Multicomponent mixtures containing
methyl-methacrylate, dimethyl-ether or acetic acid”, (2014) Chemical Engineering
Research and Design, Article in Press. [Abstract and full text] Tsivintzelis I., Bøgh
D., Karakatsani E., Kontogeorgis
G., “The role of monomer fraction data in association theories–can we improve
the performance for phase equilibrium calculations?” (2014) Fluid Phase
Equilibria, 365, pp. 112-122. [Abstract and full text] Tsivintzelis,
I., Musko, N.E., Baiker, A., Grunwaldt, J.-D., Kontogeorgis,
G.M., “Experimental determination and modeling of the phase behavior for the
direct synthesis of dimethyl carbonate from methanol and carbon dioxide”, (2013) Journal of Supercritical Fluids, 84, pp. 155-163 [Abstract and full text] Awan, J.A., Kontogeorgis,
G.M., Tsivintzelis, I., Coquelet, C.,
“Vapor-liquid-liquid equilibrium measurements and modeling
of ethanethiol + methane + water, 1-propanethiol + methane + water and
1-butanethiol + methane + water ternary systems at 303, 335, and 365 K and
pressure up to 9 MPa”, (2013) Industrial and Engineering Chemistry
Research, 52 (41), pp. 14698-14705. [Abstract and full text] Maia, F.M., Tsivintzelis, I., Rodriguez, O., Macedo,
E.A., Kontogeorgis, G.M., “Equation of state
modelling of systems with ionic liquids: Literature review and application
with the Cubic Plus Association (CPA) model”, (2012) Fluid Phase
Equilibria, 332, pp. 128-143. [Abstract and full text] Tsivintzelis, I., Kontogeorgis,
G.M., “Capabilities and limitations of an association theory for chemicals in
liquid or supercritical solvents”, (2012)
Industrial and Engineering Chemistry
Research, 51 (41), pp. 13496-13517. [Abstract and full text] Awan, J.A., Tsivintzelis, I., Valtz,
A., Coquelet, C., Kontogeorgis,
G.M., “Vapor-liquid-liquid equilibrium measurements and modeling
of the methanethiol + methane + water ternary system at 304, 334, and 364 K”,
(2012) Industrial and Engineering Chemistry Research, 51 (35), pp.
11561-11564. [Abstract and full text] Afzal, W., Breil, M.P., Tsivintzelis, I., Mohammadi,
A.H., Kontogeorgis, G.M., Richon, D., “Experimental
study and phase equilibrium modeling of systems
containing acid gas and glycol” (2012)
Fluid Phase Equilibria, 318, pp.
40-50. [Abstract and full text] Awan, J.A., Tsivintzelis, I., Coquelet,
C., Kontogeorgis, G.M., “Phase equilibria of three
binary mixtures: Methanethiol + methane, methanethiol + nitrogen, and
methanethiol + carbon dioxide”, (2012)
Journal of Chemical and Engineering
Data, 57 (3), pp. 896-901. [Abstract and full text] Beier, M.J., Grunwaldt, J.-D., Tsivintzelis, I.,
Jensen, A.D., Kontogeorgis, G.M., Baiker, A.,
“Selective oxidation of benzyl alcohol in dense CO 2: Insight by phase behavior modelling”, (2012)
Journal of Supercritical Fluids,
63, pp. 199-207. [Abstract and full text] Díaz, I., Tsivintzelis, I., Panayiotou, C.,
“Predictions of high pressure phase equilibria of CO2-containing
mixtures with the NRCOSMO model”, (2012)
Fluid Phase Equilibria, 313, pp.
203-210. [Abstract and full text] Tsivintzelis, I., Kontogeorgis,
G.M., Michelsen, M.L., Stenby, E.H., “Modeling
phase equilibria for acid gas mixtures using the CPA equation of state. Part
II: Binary mixtures with CO2”,
(2011) Fluid Phase Equilibria,
306 (1), pp. 38-56. [Abstract and full text] Tsivintzelis, I., Beier, M.J., Grunwaldt, J.-D.,
Baiker, A., Kontogeorgis, G.M., “Experimental
determination and modeling of the phase behavior for the selective oxidation of benzyl alcohol in
supercritical CO2”, (2011)
Fluid Phase Equilibria, 302 (1-2),
pp. 83-92. [Abstract and full text] Kontogeorgis, G.M., Tsivintzelis, I., Michelsen, M.L., Stenby, E.H., “Towards
predictive association theories”, (2011)
Fluid Phase Equilibria, 301 (2),
pp. 244-256. [Abstract and full text] Breil, M.P., Tsivintzelis, I., Kontogeorgis,
G.M., ”Modeling of phase
equilibria with CPA using the homomorph approach”, (2011) Fluid Phase Equilibria, 301 (1), pp. 1-12. [Abstract and full text] Awan, J.A., Tsivintzelis, I., Breil, M.P., Coquelet, C., Richon, D., Kontogeorgis,
G.M., “Phase equilibria of mixtures containing organic sulfur
species (OSS) and water/hydrocarbons: VLE measurements and modeling using the cubic-plus- association equation of
state”, (2010) Industrial and Engineering Chemistry
Research, 49 (24), pp. 12718-12725. [Abstract and full text] Tsivintzelis, I., Kontogeorgis,
G.M., Michelsen, M.L., Stenby, E.H., “Modeling
phase equilibria for acid gas mixtures using the CPA equation of state. I.
Mixtures with H2S”, (2010)
AIChE Journal, 56 (11), pp.
2965-2982. [Abstract and full text] Kontogeorgis, G.M., Tsivintzelis, I., von Solms, N., Grenner,
A., Bøgh, D., Frost, M., Knage-Rasmussen, A., Economou, I.G., “Use of
monomer fraction data in the parametrization of association theories”, (2010) Fluid Phase Equilibria, 296 (2), pp. 219-229. [Abstract and full text] Tsioptsias, C., Tsivintzelis, I., Panayiotou, C., “Equation-of-state modeling of mixtures with ionic liquids”, (2010) Physical Chemistry Chemical Physics, 12 (18), pp. 4843-4851. [Abstract and full text] Tsivintzelis, I., Kontogeorgis,
G.M., “Modeling the vapor-liquid equilibria of
polymer-solvent mixtures: Systems with complex hydrogen bonding behaviour”, (2009) Fluid Phase Equilibria, 280 (1-2), pp. 100-109. [Abstract and full text] Tsivintzelis, I., Economou, I.G., Kontogeorgis, G.M., “Modeling
the phase behavior in mixtures of pharmaceuticals
with liquid or supercritical solvents”, (2009)
Journal of Physical Chemistry B,
113 (18), pp. 6446-6458. [Abstract and full text] Tsivintzelis, I., Economou, I.G., Kontogeorgis, G.M., “Modeling
the solid-liquid equilibrium in pharmaceutical-solvent mixtures: Systems with
complex hydrogen bonding behaviour”, (2009) AIChE Journal, 55 (3), pp. 756-770. [Abstract and full text] Tsivintzelis, I., Grenner,
A., Economou, I.G., Kontogeorgis, G.M., “Evaluation
of the nonrandom hydrogen bonding (NRHB) theory and
the simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 2. Liquid-liquid equilibria and prediction of
monomer fraction in hydrogen bonding systems”, (2008) Industrial and
Engineering Chemistry Research, 47 (15), pp. 5651-5659.
; Erratum: Industrial and
Engineering Chemistry Research, 48 (16), p. 7860. [Abstract and full text], [Erratum] Grenner, A., Tsivintzelis, I., Economou, I.G., Panayiotou, C., Kontogeorgis, G.M., “Evaluation of the nonrandom hydrogen bonding (NRHB) theory and the
simplified perturbed-chain-statistical associating fluid theory (sPC-SAFT). 1. Vapor-liquid equilibria”, (2008) Industrial and Engineering Chemistry Research, 47 (15), pp.
5636-5650. [Abstract and full text] Panayiotou,
C., Tsivintzelis, I., Economou, I.G., “Nonrandom hydrogen-bonding model of fluids and their mixtures. 2. Multicomponent
mixtures”, (2007) Industrial and Engineering Chemistry Research, 46 (8), pp. 2628-2636. [Abstract and full text] Tsivintzelis,
I., Spyriouni, T., Economou, I.G., “Modeling of fluid phase
equilibria with two thermodynamic theories: Non-random hydrogen bonding
(NRHB)
and statistical associating fluid theory (SAFT)”, (2007) Fluid Phase
Equilibria, 253 (1), pp. 19-28. [Abstract and full text] Panayiotou, C.,
Pantoula, M., Stefanis, E., Tsivintzelis, I.,
Economou, I.G., “Nonrandom hydrogen-bonding model
of fluids and their Mixtures. 1. Pure fluids”, (2004) Industrial and Engineering
Chemistry Research, 43 (20), pp. 6592-6606. [Abstract and full text]
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