CERE 2022-01
“Application of quantum chemistry insights to the prediction of Phase Equilibria in associating systems”
John Towne, Xiaodong Liang, and Georgios M. Kontogeorgis
(Submitted for publication)
CERE 2022-02
“Rigorous phase equilibrium calculation methods for strong electrolyte solutions: The isothermal flash”
Ilias K. Nikolaidas, Nefeli Novak, Georgios M. Kontogeorgis, and Ioannis G. Economou
(Submitted for publication)
CERE 2022-03
“A benchmark database for mixed-solvent electrolyte solutions: Consistency analysis using E-NRTL
Fufang Yang, Tri-Dat Ngo, Georgios M. Kontogeorgios, Jean-Charles de Hemptinne
(Ind. Eng. Chem. Res., 61 (2022) 15576-15593)
CERE 2022-04
“Hydrogen-rich natural gas hydrates formation kinetics in the presence of promoters”
Jyoti Shanker Pandey, Jesper Lundtoft Hansen, Nicolas von Solms
(Chemical Engineering Journal, 432 (2022) 134295-)
CERE 2022-05
”Investigation of the limits of the linearized Poisson-Boltzmann equation”
Gabriel M. Silva, Xiaodong Liang, Georgios M. Kontogeorgis
(J. Phys. Chem. B, 126 (2022) 4112–4131)
CERE 2022-06
“Growth mechanisms for composite fouling: The impact of substrates on detachment processes”
Isaac A. Løge, Benaiah U. Anabaraonye, Philip Loldrup Fosbøl
(Submitted for publication)
CERE 2022-07
“Stiffness control in dual color tomographic volumetric 3D printing”
Bin Wang, Einstorm Engay, Peter R. Stubbe, Saeed Z. Moghaddam, Esben Thormann, Kristoffer Almdal, Aminul Islam, Yi Yang
(Nature Communications, 13 (2022) 367)
CERE 2022-08
”Design and analysis of novel CO2 conditioning process in ship-based CCS”
Wentao Gong, Eryk Remiezowicz, Philip Loldrup Fosbøl, Nicolas von Solms
(Energies, 15 (2022) 5928)
(Presented at the 15th International Conference on Greenhouse Gas Control Technologies, GHGT-15, Abu Dhabi, UAE, March 2021)
CERE 2022-09
“Microfluidic study of oil droplet stability in produced water with combinations of production chemicals”
Aliti Liridon, Alexander Shapiro, and Simon Ivar Andersen
(Energy and Fuels, 37(3) 2023 1836-1847)
CERE 2022-10
“Critical Parameters Influencing Mixed CH4/CO2 Hydrates Dissociation during Multistep Depressurization”
Qian Ouyang, Jyoti Shanker Pandey, Nicolas von Solms
(Fuel 320 (2022) 123985)
CERE 2022-11
“Multiple insights indicate that water´s anomalies are caused by structural fluctuations”
Evangelos Tsochantaris, Aswin V. Muthachikavil, Baoliang Peng, Xiaodong Liang, Georgios Kontogeorgis
(Submitted for publication)
CERE 2022-12
“Computer-aided multifunctional ionic liquid design for the electrolyte in LTO rechargeable batteries”
Yingjun Cai, Yuqiu Chen, Haitao Zhang, Nicolas von Solms, Georgios Kontogeorgis, John M. Woodley, Kaj Thomsen
(J. Phys. Chem. C, 126 (2022) 11498-11509)
CERE 2022-13
“Movement of oil droplets against concentration gradient in thin capillary”
Tian Wang, Alexander Shapiro, Simon Ivar Andersen
(Submitted for publication)
CERE 2022-14
“The true Hückel equation for electrolyte solutions and its relation with the Born term”
Gabriel M. Silva, Xiaodong Liang, Georgios M. Kontogeorgis
(Journal of Molecular Liquids, 368 (2022) 120554)
CERE 2022-15
“Experimental data and modeling of the CO2 solubility in 2-methylimidazole aqueous solution”
Wan Chen, Zixuan Huang, Xiaodong Liang, Georgios M. Kontogeorgis, Bei Liu, Guangjin Chen
(Fuel, 331 (2023) 125694)
CERE 2022-16
“Solid-liquid phase boundaries in the system: glycine-NaOH-NaHCO3-H2O”
Randi Neerup, Irene G. Stampino, Kaj Thomsen, Rolf W. Berg, Sebastian N. B. Villadsen, Philip L. Fosbøl
(J. Chem. Eng. Data, 67, 1550-1564, 2022)
CERE 2022-17
Review of barium sulphate solubility measurements
Lucas F.F. Corrêa, Jiasheng Hao, Randi Neerup, Susana Almeida, Meng Shi, Kaj Thomsen, Philip L. Fosbøl
(Geothermics, 104 (2022) 102465)
CERE 2022-18
“A new view on scale”
Isaac Løge Appelquist, Randi Neerup, Philip Loldrup Fosbøl
(Submitted for publication)
CERE 2022-19
“A view on the future of applied thermodynamics”
Jean-Charles de Hemptinne, Georgios Kontogeorgis, Ralf Dohrn, Ioannis G. Economou, Antoon ten Kate, Susanna Kuitunen, Ljudmila Fele Žilnik, Maria Grazia De Angelis, and Velisa Vesovic
(I&EC Research, 61 (39) (2022) 14664-14680)
CERE 2022-20
“Comparison of models for the relative static permittivity with the e-CPA equation of state”
Martin Due Olsen, Georgios M. Kontogeorgis, Xiaodong Liang, Nicolas von Solms
(Fluid Phase Equilibria, 565 (2023) 113632)
CERE 2022-21
“Applying SAFT-type modelse for the anomalous properties of water: Successes and challenges”
Xiaodong Liang, Evangelos Tsochantaris, Georgios M. Kontogeorgis
(Submitted for publication)
CERE 2022-22
“Modeling binary and multicomponent systems containing supercritical CO2 with polyethylene glycols and compounds relevant to the biodiesel production”
Ioannis Tsivintzelis, George Koutsou, and Georgios M. Kontogeorgis
(Molecules, 27 (2022 5785)
CERE 2022-23
“Extenstion of the eSAFT-VR Mie equation of state from aqueous to non-aqueous electrolyte solutions”
Nefeli Novak, Georgios M. Kontogeorgis, Marcelo Castier, and Ioannis G. Economou
(Submitted for publication)
CERE 2022-24
“Artificial neural network modeling on the polymer-electrolyte aqueous two-phase systems involving biomolecules”
Yuqiu Chen, Xiaodong Liang, Georgios M. Kontogeorgis
(Submitted for publication)
CERE 2022-25
“Stability of periodically supported slender structures and quantification of helix formation”
Johannes Liljenhjerte, Sindhu Vudayagiri, Nicolas von Solms, Jens Vinge Nygaard
(Applicationsin Engineering Science, 8 (2021) 100070)
CERE 2022-26
“Revealing the complex spatiotemporal nature of crystal growth in a steel pipe: Initiation, expansion, and densification”
Isaac Appelquist Løge, Peter Winkel Rasmussen, Henning Osholm Sørensen, Stefan Bruns, Tamadur AlBaraghtheh, Anders Nymark Christensen, Anders Bjorholm Dahl, and Philip Loldrup Fosbøl
(Submitted for publication)
CERE 2022-27
“Synthesis and in situ sulfidation of molybdenum carbide MXene using fluorine-free etchant for electrocatalytic hydrogen evolution reactions”
Binesh Unnikrishnan, Chien-Wei Wu, Arumugam Sangili, Ya-Ju Hsu, Yu-Ting Tseng, Jyoti Shanker Pandey, Huan-Tsung Chang, Chih-Ching Huang
(Journal of Colloid and Interface Science, 628 (2022) 849-857)
CERE 2022-28
Insights into multistep depressurization of CH4/CO2 mixed hydrates in unconsolidated sediments”
Qian Ouyang, Jyoti Shanker Pandey, Nicolas von Solms
(Energy, 260 (2022) 125127)
CERE 2022-29
“Influence of CO2 on the solubility of potassium glycinate in glycine-KOH-H2O, glycine-KHCO3-H2O, and glycine-KOH-KHCO2-H2O”
Valdemar E. Rasmussen, Randi Neerup, Irene G. Stampino, Sai H. B. Vinjarapu, Sebastian N. B. Villadsen, Kaj Thomsen, and Philip L. Fosbøl
(Journal of Chemical and Engineering Data, 67 (2022) 3482-3493)
CERE 2022-30
“Conformational triggering in voltammetry and single-molecule conductivity of two-centre redox metalloproteins: Cytochrome c4 and copper nitrite reductase”
Henrik Bohr, Irene Shim, Jens Ulstrup, Xinxin Xiao
(Current Opinion in Electrochemistry, 36 (2022) 101137)
CERE 2022-31
“Reference density database for 20 aqueous alkali halide solutions”
Fufang Yang, Jingang Qu, Georgios M. Kontogeorgis, and Jean-Charles de Hemptinne
(J. Phys. Chem. Ref. Data, 51 (2022) 043104)
CERE 2022-32
“How to account for the concentration dependency of relative permittivity in the Debye-Hückel and Born equations”
Gabriel M. Silva, Xiaodong Liang, Georgios M. Kontogeorgis
(Fluid Phase Equilibria, 566 (2023) 113671)
CERE 2022-33
“Extended UNIQUAC thermodynamic modeling of aqueous two-phase systems, water + salt + short-chain alcohol”
Alejandro Gomis, Philip L. Fosbøl, Kaj Thomsen
(Ind. Eng. Chem. Res. 61 (2022) 14066-14080)
CERE 2022-34
“Insights into multistep depressurization of CH4/CO2 mixed hydrates in unconsolidated sediments”
Qian Ouyang, Jyoti Shanker Pandey, Nicolas von Solms
(Energy, 260 (2022) 125127-)
CERE 2022-35
“Formation of robust CEI film on high voltage LiNi0.6CO0.2Mn0.2O2 cathode enabled by functional [PIVM] [TFSA] ionic liquid additive”
Yingjun Cai, Tinghua Xu, Xianglei Meng, Nicolas von Solms, Haitao Zhang, Kaj Thosen
(Electrochimica Acta, 424 (2022) 140679)
CERE 2022-36
“Crossover residual entropy scaling of the viscosity and thermal conductivity of carbon dioxide”
Hangtao Liu, Fufang Yang, Zhen Yang, Yuanyuan Duan
(Journal of Molecular Liquids, 368 (2022) 120799)
ERE 2022-37
“Machine learning-based design of aqueous two-phase systems for biomolecule partitioning”
Yuqiu Chen, Xiaodong Liang, Georgios M. Kontogeorgis
(Submitted for publication)
CERE 2022-38
“On the estimation of equivalent conductivity of electrolyte solutions; The effect of relative static permittivity”
Saman Naseri Boroujeni, Bjørn Maribo-Mogensen, Xiaodong Liang, Georgios M. Kontogeorgis
(Submitted for publication)
CERE 2022-39
“Vapor-liquid equilibrium measurements for aqueous mixtures of NH3 + MDEA + CO2 and KOH + MDEA”
Lucas F. F. Corrêa, Kaj Thomsen, Indira Jayaweera, Palitha Jayaweera, Philip L. Fosbøl
(J. Chem. Eng. Data: DOI.org/10.1021/acs.jced.2c00376)
CERE 2022-40
“Hydrogen Bonded Configurations in Liquid Water and Their Correlation with Local Tetrahedral Structures”
Aswin V. Muthachikavil, Baoliang Peng, Georgios M. Kontogeorgis and Xiaodong Liang
(Submitted for publication)
CERE 2022-41
“Structural characteristics of low-density environments in liquid water”
Aswin V. Muthachikavil, Georgios M. Kontogeorgis, Xiaodong Liang, Qun Lei, and Baoliang Peng
(Phys. Rev. E, 105 (2022) 034604-)
CERE 2022-42
“Evaluation the harmonic approximation for the prediction of thermodynamic formation properties of solids”
Rasmus Fromsejer, Bjørn Maribo-Mogensen, Georgios M. Kontogeorgis, and Xiaodong Liang
(Computational Materials Science, 223 (2023) 112152)CERE 2022-43
CERE 2022-43
“Optimisation of carbon dioxide pressurisation pathways for pipeline 2 offshore delivery”
Gcinisizwe Msimisi Dlamini, Philip Loldrup Fosbøl, Kenneth Ness, Eryk Remiezowicz, Svein-Erik Losnegård, Nicolas von Solms
(Greenhouse Gas Control, 128 (2023) 103943)
CERE 2022-44
“Diffusion coefficients in systems related to reservoir fluids: Available data and evaluation of correlations”
Yibo Yang, Erling H. Stenby, Alexander A. Shapiro, and Wei Yan
(Processes, 10 (2022) 1554-)
CERE 2022-45
“Impact of gas liberation effects on the performance of low permeability reservoirs”
Nikolai Andrianov, Niels Marinus Bech, Carsten Møller Nielsen, Wael Al-Masri, and Alexander Shapiro
(Energies, 15 (2022) 3707-)
CERE 2022-46
“Unified thermodynamic modelling of diffusion and thermodiffusion coefficients”
Hadise Baghooee, Alexander Shapiro
(Fluid Phase Equilibria, 558 (2022) 113445-)
CERE 2022-47
“Continuous upscaling of the 3D diffusion equation in a heterogeneous medium”
Alexander A. Shapiro
(Chemical Engineering Science, 248 (2022) 117247)
CERE 2022-48
“Befæstet af begroning”
Isaac Appelquist Løge, Benaiah U. Anabaraonye, Philip Loldrup Fosbøl
(Dansk Kemi, 103(5) (2022) 24-26)
CERE 2022-49
“Crystal nucleation and growth: Supersaturation and and crystal resilience determine stickability”
Isaac Appelquist Løge, Benaiah U. Anabaraonye, Nicolas Bovet, Philip Loldrup Fosbøl
(Crystal Growth & Design, 23 (2023) 2619-2627)
CERE 2022-50
“An equivalent source method for removal of attitude-induced responses in drone-towed magnetic scalar gradiometry data”
Jacob Thejll Petersen, Mick E. Koster, Thorkild M. Rasmussen, Arne Døssing
(Geophysical Journal International, 232 (2023) 1556-1567)
CERE 2022-51
“Synthetic case study: discrimination of unexploded ordnance (UXO) and non-UXO sources with varying remanent magnetization strength using magnetic data”
Mark David Wigh, Thomas Mejer Hansen, and Arne Døssing
(Geophysical Journal International, 228 (2022) 773-791)
CERE 2022-52
“High-Speed Magnetic Surveying for Unexploded Ordnance Using UAV Systems”
Mick Emil Kolster, Mark David Wigh, Eduardo Lima Simöes da Silva, Tobias Bjerg Vilhelmsen, and Arne Døssing
(Remote Sensing, 14(5) (2022) 1134-)
CERE 2022-53
“Vapor-liquid equilibrium measurements and cubic-plus-association modeling of triethylene glycol + water + methane systems at 6.0 and 12.5 MPa”
Julia Trancoso, Daniel Qvistgaard, Marie V. Danielsen, Eleni Panteli, Even Solbraa, Georgios M. Kontogeorgis and Nicolas von Solms.
(J. Chem. Eng. Data, 68 (2023) 127-137)
CERE 2022-54
“Multicomponent vapor-liquid equilibrium measurements and modeling of triethylene glycol, water, and natural gas mixtures at 6.0, 9.0 and 12.5 MPa”
Daniel Qvistgaard, Julia Trancoso, Even Solbraa, Marie Vikre Danielsen, Eleni Panteli, Georgios M. Kontogeorgis and Nicolas von Solms.
(Fluid Phase Equilibria, 565 (2023) 113660)
CERE 2022-55
“Systematic evaluation of parameterization approaches for the ePPC-SAFT model for aqueous alkali halide solutions”
Fufang Yang, Tri Dat Ngo, Juan Sebastian Roa Pinto, Georgios M. Kontogeorgis, Jean-Charles de Hemptinne
(Fluid Phase Equilibria, 570 (2023) 113778)
CERE 2022-56
see CERE 2022-32
CERE 2022-57
“Thermodynamic modelling of MDEA (aq)-NH3(aq)-K2CO3(aq)-CO2(aq) using the Extended UNIQUAC model”
Lucas Farias Falcchi Corrêa, Kaj Thomsen, Philip Loldrup Fosbøl
(Fuel, 337 (2023) 126863)
CERE 2022-58
“A call for standards in the CO2 value chain”
Randi Neerup, Isaac A. Løge, Kári Helgason, Sandra Ó. Snæbjörnsdóttir, Bergur Sigfússon, Johan B. Svendsen, Nils T. Rosted, Peter Blinksbjerg, Jannik Kappel, Ragni Rørtveit, Szezepan Polak, Nik Felbab, Rasmus Holmer, Ajay Arora, Jimmy Andersen, Bogi B. Jensen, Sebastian N. B. Villadsen, Georgios M. Kontogeorgis, Philip L. fosbøl
(Accepteret i Environmental Science and Technology)
CERE 2022-59
“Modelling phase equilibria of sulphur compounds in mixtures relevant to carbon capture and storage with new association schemes”
Gcinisizwe Msimisi Dlamini, Philip Loldrup Fosbøl, Nicolas von Solms
(Fluid Phase Equilibria, 568 (2023) 113738)
CERE 2022-60
“Thermo-economic performance limit analysis of combined heat and power systems for optimal working fluid selections”
Xiaoxian Yang, Fubin Yang, Fufang Yang
(Energy, 272 (2023) 127041)
CERE 2022-61
“Comparisons of equation of state models for electrolytes: e-CPA and e-PPC-SAFT”
Martin Due Olsen, Georgios M. Kontogeorgis, Jean-Charles de Hemptinne, Xiaodong Liang, Nicolas von Solms
(Submitted for publication)
CERE 2022-62
“On the implementation of a preconditioned Riccati Recursion based Primal-Dual interior-point algorithm for input constrained optimal contral problems
Morten Ryberg Wahlgreen, John Bagterp Jørgensen
(IFAC PapersOnLine 55-7 (2022) 346-351)
CERE 2022-63
“Modeling and simulation of upstream and downstream processes for monoclonal antibody production”
Morten Ryberg Wahlgreen, Kristian Meyer, Tobias K. S. Ritschel, Allan Peter Ensig-Karup, Krist V. Gernaey, John Bagterp Jørgensen
IFAC PapersOnLine 55-7 (2022) 685-690