Publications

Get an overview of publications written by the researchers at KT CONSORTIUM.

Publikationer rss feed

2021
 

High-yield production of active recombinant S. simulans lysostaphin expressed in E. coli in a laboratory bioreactor

Duman-Özdamar, Zeynep Efsun ; Ünlü, Aişe ; Ünal, Hayriye ; Woodley, John M. ; Bi̇nay, Barış
in: Protein Expression and Purification, vol: 177

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2021     |    DOI: https://doi.org/10.1016/j.pep.2020.105753

 

Modelling acid gas mixtures of polar aprotic solvents and CO2 with the Cubic Plus Association equation of state

Follegatti-Romero, Luis A. ; Oller do Nascimento, Cláudio A. ; Liang, Xiaodong
in: Journal of Supercritical Fluids, vol: 167

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2021     |    DOI: https://doi.org/10.1016/j.supflu.2020.105052

2020
 

A computational tool for parameter estimation in EoS: New methodologies and natural gas phase equilibria calculations

Abunahman, Samir S. ; dos Santos, Letícia C. ; Tavares, Frederico W. ; Kontogeorgis, Georgios M.
in: Chemical Engineering Science, vol: 215

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.ces.2019.115437

 

A decision-support framework for techno-economic-sustainability assessment of resource recovery alternatives

Silk, Dominic ; Mazzali, Beatrice ; Gargalo, Carina L. ; Pinelo, Manuel ; Udugama, Isuru A. ; Mansouri, Seyed Soheil
in: Journal of cleaner production, vol: 266

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.jclepro.2020.121854

 

A deep learning-based forecasting model for renewable energy scenarios to guide sustainable energy policy: A case study of Korea

Nam, KiJeon ; Hwangbo, Soonho ; Yoo, ChangKyoo
in: Renewable and Sustainable Energy Reviews, vol: 122

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.rser.2020.109725

  PDF

Advanced Modeling, Simulation and Optimization for In Silico Process Design

Öner, Merve

Type: Ph.D. thesis

Status: Published     |    Year: 2020

 

Advances in biological conversion technologies: New opportunities for reaction engineering

Woodley, John M.
in: Reaction Chemistry and Engineering, vol: 5, issue: 4, pages: 632-640

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1039/c9re00422j

 

A group contribution-based prediction method for the electrical conductivity of ionic liquids

Chen, Yuqiu ; Cai, Yingjun ; Thomsen, Kaj ; Kontogeorgis, Georgios M. ; Woodley, John M.
in: Fluid Phase Equilibria, vol: 509

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.fluid.2020.112462

 

A Hybrid Model Based Model Predictive Control Strategy for Particle Processes

Nielsen, Rasmus Fjordbak ; Gernaey, Krist V. ; Mansouri, Seyed Soheil
Presented at:
2020 AIChE Annual Meeting

Type: Conference abstract for conference (Peer reviewed)

Status: Published     |    Year: 2020

 

A Hybrid Model Predictive Control Strategy using Neural Network Based Soft Sensors for Particle Processes

Nielsen, Rasmus Fjordbak ; Gernaey, Krist V. ; Mansouri, Seyed Soheil
part of: Proceedings of the 30th European Symposium on Computer Aided Process Engineering (ESCAPE30), pages: 1177-1182, 2020
Presented at:
30th European Symposium on Computer Aided Process Engineering (ESCAPE30)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/B978-0-12-823 377-1.50197-X

 

A mass and energy balance stage model for cyclic distillation

Rasmussen, Jess Bjørn ; Mansouri, Seyed Soheil ; Zhang, Xiangping ; Abildskov, Jens ; Huusom, Jakob Kjøbsted
in: AIChE Journal, vol: 66, issue: 8

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1002/aic.16259

 

A model-based solvent selection and design framework for organic coating formulations

Jhamb, Spardha Virendra ; Liang, Xiaodong ; Dam-Johansen, Kim ; Kontogeorgis, Georgios M.
in: Progress in Organic Coatings, vol: 140

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.porgcoat.2019.105471

 

A multi-layered view of chemical and biochemical engineering

Gani, Rafiqul ; Bałdyga, Jerzy ; Biscans, Béatrice ; Brunazzi, Elisabetta ; Charpentier, Jean-Claude ; Drioli, Enrico ; Feise, Hermann ; Furlong, Andrew ; Geem, Kevin M Van ; Hemptinne, Jean-Charles de ; Kate, Antoon J. B. ten ; Kontogeorgis, Georgios M. ; Manenti, Flavio ; Marin, Guy B. ; Mansouri, Seyed Soheil ; Piccione, Patrick M. ; Povoa, Ana ; Rodrigo, Manuel Andres ; Sarup, Bent ; Sorensen, Eva ; Udugama, Isuru A. ; Woodley, John M.
in: Chemical Engineering Research and Design, vol: 155, pages: 133-145

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.cherd.2020.01.008

 

Analysis of Intensified Sustainable Schemes for Biobutanol Purification

Segovia-Hernández, Juan Gabriel ; Sánchez-Ramírez, Eduardo ; Alcocer-García, Heriberto ; Quíroz-Ramírez, Juan José ; Udugama, Isuru A. ; Mansouri, Seyed Soheil
in: Chemical Engineering and Processing, vol: 147

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.cep.2019.107737

 

Analysis of Some Electrolyte Models Including Their Ability to Predict the Activity Coefficients of Individual Ions

Sun, Li ; Liang, Xiaodong ; von Solms, Nicolas ; Kontogeorgis, Georgios M.
in: Industrial and Engineering Chemistry Research, vol: 59, issue: 25, pages: 11790-11809

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.iecr.0c00980

 

An E-learning Bot for Bioprocess Systems Engineering

Caño de Las Heras, Simoneta ; Jones, Mark Nicholas ; Gernaey, Krist V. ; Krühne, Ulrich ; Mansouri, Seyed Soheil
part of: Proceedings of the 30th European Symposium on Computer Aided Process Engineering (ESCAPE30), pages: 2023-2028, 2020
Presented at:
30th European Symposium on Computer Aided Process Engineering (ESCAPE30)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/B978-0-12-823 377-1.50338-4

 

A new study of associating inhomogeneous fluids with classical density functional theory

Camacho Vergara, Edgar L. ; Kontogeorgis, Georgios M. ; Liang, Xiaodong
in: Molecular Physics, vol: 118, issue: 9-10

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1080/00268976.2020.1725668

 

An Experimental Study on Improved Production Performanceby Depressurization Combined with CO2-Enriched AirInjection

Shi, Meng ; Woodley, John M ; von Solms, Nicolas
in: Energy and Fuels, vol: 34, issue: 6, pages: 7329–7339

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.energyfuels.0c00779

 

An integrated framework for plant data-driven process modeling using deep-learning with Monte-Carlo simulations

Hwangbo, Soonho ; Al, Resul ; Sin, Gürkan
in: Computers & Chemical Engineering, vol: 143

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.compchemeng.2020.107071

 

A process synthesis-intensification method for generation of novel and intensified solutions

Garg, Nipun ; Kontogeorgis, Georgios M. ; Gani, Rafiqul ; Woodley, John M.
in: Chemical Engineering and Processing, vol: 156

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.cep.2020.108103

 

A process synthesis tool for WWTP – An application to design sustainable energy recovery facilities

Behera, Chitta Ranjan ; Al, Resul ; Gernaey, Krist V. ; Sin, Gürkan
in: Chemical Engineering Research and Design, vol: 156, pages: 353-370

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.cherd.2020.02.014

 

A review of computer-aided design of paints and coatings

Jhamb, Spardha ; Enekvist, Markus ; Liang, Xiaodong ; Zhang, Xiangping ; Dam-Johansen, Kim ; Kontogeorgis, Georgios M
in: Current Opinion in Chemical Engineering, vol: 27, pages: 107-120

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.coche.2019.12.005

 

Assessment of the fate of organic micropollutants in novel wastewater treatment plant configurations through an empirical mechanistic model

Taboada-Santos, Anton ; Behera, Chitta Ranjan ; Sin, Gürkan ; Gernaey, Krist V. ; Mauricio, Miguel ; Carballa, Marta ; Lema, Juan M.
in: Science of the Total Environment, vol: 716

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.scitotenv.2020.137079

  PDF

A thermodynamic modelling study of aqueous tetra-n-butyl ammonium halide solutions

Sun, Li ; Liang, Jierong
in: International Journal of Electrochemical Science, vol: 15, pages: 9902-9916

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.20964/2020.10.39

  PDF

Atom-to-Enterprise: Multi-scale Modeling of Flocculation Processes

Nazemzadeh, N. ; Sillesen, L. W. ; Gernaey, K. V. ; Andersson, M. P. ; Mansouri, S. S.
Presented at:
The 11th International Chemical Engineering Congress & Exhibition (IChEC 2020)

Type: Paper (Peer reviewed)

Status: Published     |    Year: 2020

 

ChromaTech: A discontinuous Galerkin spectral element simulator for preparative liquid chromatography

Meyer, Kristian ; Leweke, Samuel ; von Lieres, Eric ; Huusom, Jakob K. ; Abildskov, Jens
in: Computers & Chemical Engineering, vol: 141

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.compchemeng.2020.107012

 

Combining technology with liquid-formulated lipases for In-Spec biodiesel production

Bhatt, Chinmayi ; Nielsen, Per Munk ; Rancke-Madsen, Anders ; Woodley, John M
in: Biotechnology and Applied Biochemistry

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2020     |    DOI: https://doi.org/10.1002/bab.2074

 

Comprehensive development, uncertainty and sensitivity analysis of a model for the hydrolysis of rapeseed oil

Forero-Hernandez, Hector ; Jones, Mark Nicholas ; Sarup, Bent ; Jensen, Anker Degn ; Abildskov, Jens ; Sin, Gürkan
in: Computers & Chemical Engineering, vol: 133

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.compchemeng.2019.106631

 

Comprehensive evaluation of a data driven control strategy

Öner, Merve ; Montes, Frederico C.C. ; Ståhlberg, Tim ; Stocks, Stuart M. ; Bajtner, Johan Eriksson ; Sin, Gürkan
in: Chemical Engineering Research and Design, vol: 163, pages: 248-261

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.cherd.2020.08.032

 

Comprehensive sensitivity analysis and process risk assessment of large scale pharmaceutical crystallization processes

Öner, Merve ; Stocks, Stuart M. ; Sin, Gürkan
in: Computers & Chemical Engineering, vol: 135

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.compchemeng.2020.106746

  PDF

Computerbaseret design af organiske coatings

Jhamb, Spardha ; Liang, Xiaodong ; Dam-Johansen, Kim ; Kontogeorgis, Georgios M.
in: Dansk Kemi, vol: 101, issue: 1, pages: 12-14

Type: Journal article

Status: Published     |    Year: 2020

 

Controlled pore collapse to increase solute rejection of modified PES membranes

Zverina, Libor ; Koch, Marcus ; Andersen, Mads F. ; Pinelo, Manuel ; Woodley, John M. ; Daugaard, Anders E.
in: Journal of Membrane Science, vol: 595

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.memsci.2019.117515

  PDF

Cost optimization and flexibility analysis for the liquefaction of an associated natural gas stream

Eini, Saeed ; Kontogeorgis, Georgios M. ; Rashtchian, Davood
in: Journal of Energy Resources Technology, vol: 142, issue: 6

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1115/1.4045459

 

Covariance-Based Uncertainty Analysis of Reference Equations of State

Cheung, Howard ; Frutiger, Jérôme ; Bell, Ian H. ; Abildskov, Jens ; Sin, Gürkan ; Wang, Shengwei
in: Journal of Chemical and Engineering Data, vol: 65, issue: 2, pages: 503-522

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.jced.9b00689

 

Density, Viscosity, and Conductivity of [VAIM][TFSI] in Mixtures for Lithium-Ion Battery Electrolytes

Cai, Yingjun ; von Solms, Nicolas ; Zhang, Suojiang ; Thomsen, Kaj
in: Journal of Chemical and Engineering Data, vol: 65, issue: 2, pages: 495-502

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.jced.9b00648

 

Developing group contribution models for the estimation of Atmospheric Lifetime and Minimum Ignition Energy

Eini, Saeed ; Jhamb, Spardha ; Sharifzadeh, Mahdi ; Rashtchian, Davood ; Kontogeorgis, Georgios M.
in: Chemical Engineering Science, vol: 226

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.ces.2020.115866

 

Development and Application of Simulation-based Methods for Engineering Optimization Under Uncertainty

Magnusson, Atli Freyr ; Al, Resul ; Sin, Gürkan
part of: Proceedings of the 30th European Symposium on Computer Aided Process Engineering, pages: 451-456, 2020
Presented at:
30th European Symposium on Computer Aided Process Engineering (ESCAPE 30)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/B978-0-12-823377-1.50076-8

 

Development of a coarse-grained force field model of polymeric 1-vinyl-3-ethylimidazolium tetrafluoroborate ionic liquids

Li, Qifeng ; Guo, Yandong ; Tong, Jiahuan ; He, Hongyan ; Zhang, Xiaochun ; Huo, Feng
in: Chemical Physics Letters, vol: 754

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.cplett.2020.137656

 

Development of an integrated network for waste-to-energy and central utility systems considering air pollutant emissions pinch analysis

Hwangbo, Soonho ; Sin, Gürkan ; Rhee, Gahee ; Yoo, Chang Kyoo
in: Journal of cleaner production, vol: 252

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.jclepro.2019.119746

 

Discrete-Continuous Dynamic Simulation of Plantwide Batch Process Systems in MATLAB

Bähner, Franz D. ; Prado-Rubio, Oscar A. ; Huusom, Jakob K.
in: Chemical Engineering Research and Design, vol: 159, pages: 66-77

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.cherd.2020.03.030

 

Dynamic model validation and advanced polymer control for rotating belt filtration as primary treatment of domestic wastewaters

Boiocchi, Riccardo ; Behera, Chitta Ranjan ; Sherratt, Anthony ; DeGroot, Christopher T. ; Gernaey, Krist V. ; Sin, Gürkan ; Santoro, Domenico
in: Chemical Engineering Science, vol: 217

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.ces.2020.115510

 

Economic Nonlinear Model Predictive Control of a U-loop Bioreactor

Ritschel, Tobias Kasper Skovborg ; Boiroux, Dimitri ; Nielsen, Marcus Krogh ; Huusom, Jakob Kjøbsted ; Jørgensen, Sten Bay ; Jørgensen, John Bagterp
part of: Proceedings of 2020 European Control Conference , pages: 208-213, 2020
Presented at:
2020 European Control Conference

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2020

  PDF

Editorial: Applications of Monte Carlo Method in Chemical, Biochemical and Environmental Engineering

Sin, Gürkan ; Espuña, Antonio
in: Frontiers in Energy Research, vol: 8, pages: 1-2

Type: Editorial

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.3389/fenrg.2020.00068

 

Effective removal of antibiotic resistance genes and potential links with archaeal communities during vacuum-type composting and positive-pressure composting

Fan, Haonan ; Wu, Shanghua ; Woodley, John ; Zhuang, Guoqiang ; Bai, Zhihui ; Xu, Shengjun ; Wang, Xuan ; Zhuang, Xuliang
in: Journal of Environmental Sciences, vol: 89, pages: 277-286

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.jes.2019.09.006

 

Effect of Selective Size Extraction of Microalgae from a Photobioreactor

Pahija, Ergys ; Hui, Chi-Wai ; Woodley, John M. ; Sin, Gürkan
part of: Proceedings of the 30th European Symposium on Computer Aided Process Engineering, pages: 331-336, 2020
Presented at:
30th European Symposium on Computer Aided Process Engineering (ESCAPE 30)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/B978-0-12-823377-1.50056-2

  PDF

Equations of state in three centuries. Are we closer to arriving to a single model for all applications?

Kontogeorgis, Georgios M. ; Liang, Xiaodong ; Arya, Alay ; Tsivintzelis, Ioannis
in: Chemical Engineering Science: X, vol: 7

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.cesx.2020.100060

 

Esterification using a liquid lipase to remove residual free fatty acids in biodiesel

Hansen, R. B. ; Agerbaek, M. A. ; Nielsen, P. M. ; Rancke-Madsen, A. ; Woodley, J. M.
in: Process Biochemistry, vol: 97, pages: 213-221

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.procbio.2020.06.005

 

Evaluating the Performance of the PC-SAFT and CPA Equations of State on Anomalous Properties of Water

Tsochantaris, Evangelos ; Liang, Xiaodong ; Kontogeorgis, Georgios M.
in: Journal of Chemical and Engineering Data

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.jced.0c00689

  PDF

Flow-following sensor devices

Bisgaard, Jonas ; Muldbak, Monica ; Cornelissen, Sjef ; Tajsoleiman, Tannaz ; Huusom, Jakob K. ; Rasmussen, Tue ; Gernaey, Krist V.
in: Computational and Structural Biotechnology Journal, vol: 18, pages: 2908-2919

Type: Review (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.csbj.2020.10.004

 

From molasses to syrup: Engineering ultrafiltration membrane surface to improve invertase reusability

Wang, Jingyu ; Luo, Jianquan ; Ren, Yuling ; Su, Ziran ; Guo, Shiwei ; Woodley, John M. ; Wan, Yinhua
in: Journal of Membrane Science, vol: 610

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.memsci.2020.118287

  PDF

From second generation feed-stocks to innovative fermentation and downstream techniques for succinic acid production

Mancini, Enrico ; Mansouri, Seyed Soheil ; Gernaey, Krist V. ; Luo, Jianquan ; Pinelo, Manuel
in: Critical Reviews in Environmental Science and Technology, vol: 50, issue: 18, pages: 1829-1873

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1080/10643389.2019.1670530

 

Gas Solubility in Ionic Liquids: UNIFAC-IL Model Extension

Chen, Yuqiu ; Liu, Xinyan ; Woodley, John M. ; Kontogeorgis, Georgios M.
in: Industrial and Engineering Chemistry Research, vol: 59, issue: 38, pages: 16805-16821

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.iecr.0c02769

 

Heat Capacities of Fluids: The Performance of Various Equations of State

Zhu, Chenyang ; Liu, Xiangyang ; He, Maogang ; Kontogeorgis, Georgios M. ; Liang, Xiaodong
in: Journal of Chemical and Engineering Data

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.jced.0c00649

 

High-level heterologous expression of active Chaetomium thermophilum FDH in Pichia pastoris

Duman, Zeynep Efsun ; Duraksoy, Bedri Burak ; Aktaş, Fatih ; Woodley, John M. ; Binay, Barış
in: Enzyme and Microbial Technology, vol: 137

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.enzmictec.2020.109552

 

“How chemistry flows”

Paradisi, Francesca ; Woodley, John M.
in: Current Opinion in Green and Sustainable Chemistry, vol: 25

Type: Editorial

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.cogsc.2020.100389

  PDF

Hybride modeller: En pragmatisk implementering af Industri 4.0

Nielsen, Rasmus Fjordbak ; Nazemzadeh, Nima ; Andersson, Martin Peter ; Gernaey, Krist V. ; Mansouri, Seyed Soheil
in: Dansk Kemi, vol: 101, issue: 8, pages: 18-20

Type: Journal article

Status: Published     |    Year: 2020

 

Hybrid machine learning assisted modelling framework for particle processes

Nielsen, Rasmus Fjordbak ; Nazemzadeh, Nima ; Sillesen, Laura Wind ; Andersson, Martin Peter ; Gernaey, Krist V. ; Mansouri, Seyed Soheil
in: Computers & Chemical Engineering, vol: 140

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.compchemeng.2020.106916

  PDF

Hybrid Modelling Framework for on-Line Data-Driven Modelling of Particle Processes

Nielsen, Rasmus Fjordbak ; Nazemzadeh, Nima ; Andersson, Martin Peter ; Gernaey, Krist V. ; Mansouri, Seyed Soheil
Presented at:
2020 AIChE Annual Meeting

Type: Conference abstract for conference (Peer reviewed)

Status: Published     |    Year: 2020

  PDF

Identification of behavioural model input data sets for WWTP uncertainty analysis

Lindblom, E. ; Jeppsson, U. ; Sin, G.
in: Water Science and Technology, vol: 81, issue: 8, pages: 1558–1568

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.2166/wst.2019.427

 

Improved Alkyl Glycoside Synthesis by trans‐Glycosylation through Tailored Microenvironments of Immobilized β‐Glucosidase

Hoffmann, Christian ; Grey, Carl ; Pinelo, Manuel ; Woodley, John M. ; Daugaard, Anders E. ; Adlercreutz, Patrick
in: ChemPlusChem, vol: 151, pages: 640-647

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1002/cplu.201900680

  PDF

Integrated Process Design–Computational Chemistry Framework for Process Intensification: H2S Recovery and Conversion

Pudi, A. ; Karcz, A. P. ; Jones, M. N. ; Andersson, M. P. ; Mansouri, S. S.
Presented at:
The 11th International Chemical Engineering Congress & Exhibition (IChEC 2020)

Type: Paper (Peer reviewed)

Status: Published     |    Year: 2020

 

Integration of Computational Chemistry and Artificial Intelligence for Multi-scale Modeling of Bioprocesses

Nazemzadeh, Nima ; Sillesen, Laura Wind ; Nielsen, Rasmus Fjordbak ; Jones, Mark Nicholas ; Gernaey, Krist V. ; Andersson, Martin ; Mansouri, Seyed Soheil
part of: Proceedings of the 30th European Symposium on Computer Aided Process Engineering (ESCAPE30), pages: 295-300, 2020
Presented at:
30th European Symposium on Computer Aided Process Engineering (ESCAPE30)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/B978-0-12-823 377-1.50050-1

 

Ionic-Liquid-Based Bioisoprene Recovery Process Design

Chen, Yuqiu ; Liu, Xinyan ; Kontogeorgis, Georgios M. ; Woodley, John M.
in: Industrial and Engineering Chemistry Research, vol: 59, issue: 16, pages: 7355–7366

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.iecr.0c00146

 

Life Cycle Analysis of Phenol - Formaldehyde Resins Substituted with Lignin

Perederic, Olivia Ana ; Mountraki, Aikaterini ; Papadopoulou, Electra ; Woodley, John M. ; Kontogeorgis, Georgios M.
part of: Proceedings of the 30th European Symposium on Computer Aided Process Engineering, pages: 607-612, 2020
Presented at:
30th European Symposium on Computer Aided Process Engineering (ESCAPE 30)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/B978-0-12-823377-1.50102-6

 

Life cycle assessment of intensified processes towards circular economy: Omega-3 production from waste fish oil

Monsiváis-Alonso, Rafael ; Mansouri, Seyed Soheil ; Román-Martínez, Alicia
in: Chemical Engineering and Processing, vol: 158

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.cep.2020.108171

 

Matching the critical point of associating fluids with the Cubic Plus Association equation of state

Liang, Xiaodong ; Peng, Baoliang ; Chen, Yuan ; Luo, Jianhui ; Michelsen, Michael Locht ; Kontogeorgis, Georgios M.
in: Fluid Phase Equilibria, vol: 526

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.fluid.2020.112674

  PDF

Methane Production from Natural Gas Hydrates by Flue Gas Injection under Permafrost Conditions

Pandey, Jyoti Shanker ; Karcz, Adam Paul ; von Solms, Nicolas
Presented at:
10th International Conference on Gas Hydrates (ICGH10)

Type: Conference abstract for conference (Peer reviewed)

Status: Published     |    Year: 2020

  PDF

Model-Based Tools for Pharmaceutical Manufacturing Processes

Schenkendorf, René ; Gerogiorgis, Dimitrios I. ; Mansouri, Seyed Soheil ; Gernaey, Krist V.
in: Processes, vol: 8, issue: 1

Type: Editorial (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.3390/pr8010049

 

Modeling of Liquid-Liquid Phase Transfer Catalysis: Process Intensification via Integration of Process Systems Engineering and Computational Chemistry

Pudi, Abhimanyu ; Karcz, Adam P. ; Shadravan, Vahid ; Andersson, Martin ; Mansouri, Seyed Soheil
part of: Proceedings of the 30th European Symposium on Computer Aided Process Engineering (ESCAPE30), pages: 43-48, 2020
Presented at:
30th European Symposium on Computer Aided Process Engineering (ESCAPE30)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/B978-0-12-823377-1.50008-2

 
  PDF

Modeling the Critical and Phase Equilibrium Properties of Pure Fluids and Mixtures with the Crossover Cubic-Plus-Association Equation of State

Vinhal, Andre P. C. M. ; Yan, Wei ; Kontogeorgis, Georgios M.
in: Journal of Chemical and Engineering Data, vol: 65, issue: 3, pages: 1095-1107

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.jced.9b00492

 

Modeling vapor-liquid-liquid-solid equilibrium for acetone-water-salt systems

Thomsen, Kaj ; Olsen, Martin Due ; Corrêa, Lucas F. F.
in: Pure and Applied Chemistry

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2020

 

Modelling of Polyhydroxyalkanoates Synthesis from Biogas by Methylocystis hirsuta

Chen, Xueming ; Rodríguez, Yadira ; López, Juan C. ; Muñoz, Raúl ; Ni, Bing-Jie ; Sin, Gürkan
in: ACS Sustainable Chemistry and Engineering

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acssuschemeng.9b07414

 

Molecular tracking: A concept for side-draw distillation column design

Nazemzadeh, Nima ; Udugama, Isuru A. ; Karcz, Adam Paul ; Andersson, Martin P. ; Abildskov, Jens ; Mansouri, Seyed Soheil
in: AIChE Journal, pages: e17070

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2020     |    DOI: https://doi.org/10.1002/aic.17070

 

Multifunctional imidazolium-based ionic liquid as additive for silicon/carbon lithium ion batteries

Cai, Yingjun ; Xu, Tinghua ; von Solms, Nicolas ; Zhang, Haitao ; Thomsen, Kaj
in: Electrochimica Acta, vol: 340

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.electacta.2020.135990

  PDF

Nonlinear Model Predictive Control for an Exothermic Reaction in an Adiabatic CSTR

Wahlgreen, Morten Ryberg ; Schroll-Fleischer, Eskild ; Boiroux, Dimitri ; Ritschel, Tobias ; Wu, Hao ; Huusom, Jakob Kjøbsted ; Jørgensen, John Bagterp
part of: Proceedings of 6th International Conference on Advances in Control and Optimization of Dynamical Systems, pages: 500-505, 2020
Presented at:
6th International Conference on Advances in Control and Optimization of Dynamical Systems

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2020

 

On the study of the vapor-liquid interface of associating fluids with classical density functional theory

Camacho Vergara, Edgar L. ; Kontogeorgis, Georgios M. ; Liang, Xiaodong
in: Fluid Phase Equilibria, vol: 522

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.fluid.2020.112744

 

On the thermodynamics of biocatalytic reactions with application of group-contribution correlation and prediction

O’Connell, John P. ; Woodley, John M. ; Abildskov, Jens
in: Fluid Phase Equilibria, vol: 518

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.fluid.2020.112623

 

Optimal utility supply network under demand uncertainty for operational risk assessment on a petrochemical industrial park

Vilela, Paulina ; Park, Sung Ku Heo ; Hwangbo, Soonho ; Yoo, Chang Kyoo
in: Korean Journal of Chemical Engineering, vol: 37, issue: 7, pages: 1116-1129

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1007/s11814-020-0555-9

  PDF

Parameters necessary to define an immobilized enzyme preparation

Boudrant, Joseph ; Woodley, John M. ; Fernandez-Lafuente, Roberto
in: Process Biochemistry, vol: 90, pages: 66-80

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.procbio.2019.11.026

 

Predicting activity coefficients with the Debye‐Hückel theory using concentration dependent static permittivity

Lei, Qun ; Peng, Baoliang ; Sun, Li ; Luo, Jianhui ; Chen, Yuan ; Kontogeorgis, Georgios M. ; Liang, Xiaodong
in: AIChE Journal, vol: 66, issue: 11

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1002/aic.16651

 

ProCACD: A computer-aided versatile tool for process control

Tula, Anjan K. ; Wang, Jialiang ; Chen, Xi ; Mansouri, Seyed Soheil ; Gani, Rafiqul
in: Computers & Chemical Engineering, vol: 136

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.compchemeng.2020.106771

 

Process analysis of shea butter solvent fractionation using a generic systematic approach

Perederic, Olivia A. ; Mansouri, Seyed Soheil ; Appel, Sten ; Sarup, Bent ; Gani, Rafiqul ; Woodley, John M. ; Kontogeorgis, Georgios
in: Industrial & Engineering Chemistry Research, vol: 59, issue: 19, pages: 9152-9164

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.iecr.9b06719

 

Robust Monitoring of Lactic Acid Bacteria with Sequential Monte Carlo

Pahija, Ergys ; Spann, Robert ; Sin, Gürkan
part of: Proceedings of the 30th European Symposium on Computer Aided Process Engineering, pages: 1615-1620, 2020
Presented at:
30th European Symposium on Computer Aided Process Engineering (ESCAPE 30)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/B978-0-12-823377-1.50270-6

 

Saline fish wastewater in biogas plants - Biomethanation toxicity and safe use

Letelier-Gordo, Carlos O. ; Mancini, Enrico ; Pedersen, Per Bovbjerg ; Angelidaki, Irini ; Fotidis, Ioannis A.
in: Journal of Environmental Management, vol: 275

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.jenvman.2020.111233

  PDF

Simulation-based framework for design and optimization of wastewater treatment plants

Al, Resul

Type: Ph.D. thesis

Status: Published     |    Year: 2020

 

Simulation of NMPC for a Laboratory Adiabatic CSTR with an Exothermic Reaction

Jørgensen, John Bagterp ; Ritschel, Tobias Kasper Skovborg ; Boiroux, Dimitri ; Schroll-Fleischer, Eskild ; Wahlgreen, Morten Ryberg ; Nielsen, Marcus Krogh ; Wu, Hao ; Huusom, Jakob Kjøbsted
part of: Proceedings of 2020 European Control Conference , pages: 202-207, 2020
Presented at:
2020 European Control Conference

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2020

 

Solubility modeling of air in aqueous electrolyte solutions with the E-CPA equation of state

Sun, Li ; Liang, Xiaodong ; von Solms, Nicolas ; Kontogeorgis, Georgios M.
in: Industrial & Engineering Chemistry Research, vol: 59, issue: 41, pages: 18693-18704

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.iecr.0c03164

 

Stochastic simulation-based superstructure optimization framework for process synthesis and design under uncertainty

Al, Resul ; Behera, Chitta Ranjan ; Gernaey, Krist V. ; Sin, Gürkan
in: Computers and Chemical Engineering, vol: 143

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.compchemeng.2020.107118

  PDF

Structure Optimization of Tailored Ionic Liquids and Process Simulation for Shale Gas Separation

Liu, Xinyan ; Chen, Yuqiu ; Zeng, Shaojuan ; Zhang, Xiangping ; Zhang, Suojiang ; Liang, Xiaodong ; Gani, Rafiqul ; Kontogeorgis, Georgios M.
in: AIChE Journal, vol: 66, issue: 2

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1002/aic.16794

 

Surrogate Modelling Based Uncertainty and Sensitivity Analysis for the Downstream Process Design of a Xylitol Biorefinery

Vollmer, Nikolaus I. ; Gernaey, Krist V. ; Mussatto, Solange I. ; Sin, Gürkan
part of: Proceedings of the 30th European Symposium on Computer Aided Process Engineering, pages: 1663-1668, 2020
Presented at:
30th European Symposium on Computer Aided Process Engineering (ESCAPE 30)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/B978-0-12-823377-1.50278-0

 

Sustainable Process Synthesis, Design and Innovation of Bio-succinic Acid Production

Dickson, Rofice ; Mancini, Enrico ; Garg, Nipun ; Liu, Jay ; Pinelo, Manuel ; Mansouri, Seyed Soheil
part of: Proceedings of the 30th European Symposium on Computer Aided Process Engineering (ESCAPE30), pages: 787-792, 2020
Presented at:
30th European Symposium on Computer Aided Process Engineering (ESCAPE30)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/B978-0-12-823377-1.50132-4

  PDF

The Effect of Concentration of Lithium Salt on the Structural and Transport Properties of Ionic Liquid-Based Electrolytes

Tong, Jiahuan ; Wu, Shengli ; von Solms, Nicolas ; Liang, Xiaodong ; Huo, Feng ; Zhou, Qing ; He, Hongyan ; Zhang, Suojiang
in: Frontiers in Chemistry, vol: 7

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.3389/fchem.2019.00945

 

The effect of dissolved oxygen on kinetics during continuous biocatalytic oxidations

Lindeque, Rowan M. ; Woodley, John M.
in: Organic Process Research And Development, vol: 24, issue: 10, pages: 2055–2063

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1021/acs.oprd.0c00140

 

The Impact of Amino Acid on Gas Hydrate Formation: Quantum Mechanical, Thermodynamic & Experimental Studies

Pandey, Jyoti Shanker ; Khan, Saad ; Karcz, Adam Paul ; Andersson, Martin P. ; von Solms, Nicolas
Presented at:
31st European Symposium on Applied Thermodynamics (ESAT 2020)

Type: Conference abstract for conference (Peer reviewed)

Status: Published     |    Year: 2020

 

Thermodynamic modeling of gas solubility in aqueous solutions of quaternary ammonium salts with the e-CPA equation of state

Sun, Li ; Liang, Xiaodong ; Solms, Nicolas von ; Kontogeorgis, Georgios M.
in: Fluid Phase Equilibria, vol: 507, pages: 11

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2020     |    DOI: https://doi.org/10.1016/j.fluid.2019.112423