Publications

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

Publikationer rss feed

2019
 

Accelerating the implementation of biocatalysis in industry

Woodley, John M.
in: Applied Microbiology and Biotechnology, vol: 103, issue: 12, pages: 4733–4739

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1007/s00253-019-09796-x

 

Accounting for cross association in non-self-associating species using a physically consistent SAFT-VR Mie approach

Cripwell, Jamie T. ; Kruger, Francois J. ; Burger, Andries J.
in: Fluid Phase Equilibria, vol: 483, pages: 1-13

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.fluid.2018.11.003

 

A CFD based automatic method for compartment model development

Tajsoleiman, Tannaz ; Spann, Robert ; Bach, Christian ; Gernaey, Krist V. ; Huusom, Jakob Kjøbsted ; Krühne, Ulrich
in: Computers and Chemical Engineering, vol: 123, pages: 236-245

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.compchemeng.2018.12.015

 

Achieving value from process intensification through better process control

Udugama, Isuru A. ; Mansouri, Seyed Soheil ; Gernaey, Krist V. ; Bayer, Christoph ; Young, Brent R.
part of: Proceedings of the 2019 Moratuwa Engineering Research Conference (MERCon), pages: 376-381, 2019, IEEE

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1109/MERCon.2019.8818773

 

A compartment model for risk-based monitoring of lactic acid bacteria cultivations

Spann, Robert ; Gernaey, Krist V. ; Sin, Gürkan
in: Biochemical Engineering Journal, vol: 151

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.bej.2019.107293

  PDF

A Discontinuous-Galerkin Finite-Element Method for Simulation of Packed Bed Chromatographic Processes

Horsholt, A. ; Christiansen, L. H. ; Meyer, K. ; Huusom, J. K. ; Jorgensen, J. B.
in: IFAC-PapersOnLine, vol: 52, issue: 1, pages: 346-351
Presented at:
12th IFAC Symposium on Dynamics and Control of Process Systems

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.ifacol.2019.06.086

 

A Gibbs energy-driving force method for the optimal design of non-reactive and reactive distillation columns

Lopez-Arenas, Teresa ; Mansouri, Seyed Soheil ; Sales-Cruz, Mauricio ; Gani, Rafiqul ; Pérez-Cisneros, Eduardo S.
in: Computers & Chemical Engineering, vol: 128, pages: 53-68

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.compchemeng.2019.05.024

 

A Modular Modelling Environment for Computer-Aided Process Design

Jones, Mark Nicholas ; Jones, Simon Anthony ; Sin, Gürkan
part of: Proceedings of the 9th International Conference on Foundations of Computer-Aided Process Design, pages: 23-28, 2019, Elsevier
Presented at:
9th International Conference on Foundations of Computer-Aided Process Design

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/B978-0-12-818597-1.50004-7

 

An exploration of barriers for commercializing phosphorus recovery technologies

Li, Bing ; Udugama, Isuru A. ; Mansouri, Seyed Soheil ; Yu, Wei ; Baroutian, Saeid ; Gernaey, Krist V. ; Young, Brent R.
in: Journal of Cleaner Production, vol: 229, pages: 1342-1354

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.jclepro.2019.05.042

  PDF

An integrated approach for the design of emulsified products

Kontogeorgis, Georgios M. ; Mattei, Michele ; Ng, Ka M. ; Gani, Rafiqul
in: A I Ch E Journal, vol: 65, issue: 1, pages: 75-86

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1002/aic.16363

 

An International Collaboration on Virtual Bioprocess Plants for Chemical Engineering Education

Young, Brent ; Mansouri, Seyed Soheil ; Baroutian, Saeid
in: IChemE Newsletter, vol: April 2019, issue: 71

Type: Journal article

Status: Published     |    Year: 2019

 

A novel operation cost optimization system for mix-burning coal slime circulating fluidized bed boiler unit

Zhang, Wei ; Liu, Jizhen ; Gao, Ming-ming ; Huusom, Jakob K.
in: Applied Thermal Engineering, vol: 148, pages: 620-631

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.applthermaleng.2018.11.087

  PDF

A Prospective Life Cycle Assessment (LCA) of Monomer Synthesis: Comparison of Biocatalytic and Oxidative Chemistry

Delgove, Marie A. F. ; Laurent, Achille-B ; Woodley, John M. ; De Wildeman, Stefaan M. A. ; Bernaerts, Katrien V. ; van der Meer, Yvonne
in: ChemSusChem, vol: 12, issue: 7, pages: 1349-1360

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1002/cssc.201900007

  PDF

Assessment of the Plantwide Control Structure in a Pectin Production Plant

Bähner, F. D. ; Santacoloma, P. A. ; Huusom, J. K.
in: IFAC-PapersOnLine, vol: 52, issue: 1, pages: 251-256
Presented at:
12th IFAC Symposium on Dynamics and Control of Process Systems

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.ifacol.2019.06.070

 

A stabilized nodal spectral solver for liquid chromatography models

Meyer, Kristian ; Huusom, Jakob K. ; Abildskov, Jens
in: Computers and Chemical Engineering, vol: 124, pages: 172-183

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.compchemeng.2019.02.017

 

A systematic study on the effects of dynamic environments on microalgae concentration

Pahija, Ergys ; Hui, Chi-Wai
in: Algal Research, vol: 42

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.algal.2019.101599

 

A techno-economic-societal assessment of recovery of waste volatile anaesthetics

Ang, Teck Nam ; Udugama, Isuru A. ; Mansouri, Seyed Soheil ; Taylor, Matthew ; Burrell, Rob ; Young, Brent R. ; Baroutian, Saeid
in: Separation and Purification Technology, vol: 226, pages: 304-314

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.seppur.2019.06.011

 

Benchmarking real-time monitoring strategies for ethanol production from lignocellulosic biomass

Cabaneros Lopez, Pau ; Feldman, Hannah ; Mauricio-Iglesias, Miguel ; Junicke, Helena ; Huusom, Jakob Kjøbsted ; Gernaey, Krist V.
in: Biomass and Bioenergy, vol: 127

Type: Review (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.biombioe.2019.105296

  PDF

BIOPRO-Sim: A benchmark simulation model for bio-manufacturing processes

Mansouri, Seyed Soheil
Presented at:
1st International Young Professionals Conference on Process Engineering (YCPE 2019)

Type: Conference abstract for conference (Peer reviewed)

Status: Published     |    Year: 2019

 

BIOPRO-Sim: A benchmark simulation model for bio-manufacturing processes

Colombo , Giorgio ; A. Udugama, Isuru ; Gernaey, Krist V. ; Mansouri, Seyed Soheil
part of: Proceedings of the 29th European Symposium on Computer Aided Process Engineering, pages: 961-966, 2019, Elsevier
Presented at:
29th European Symposium on Computer Aided Process Engineering

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/B978-0-12-818634-3.50161-2

 

Bubble Column Enables Higher Reaction Rate for Deracemization of (R,S)‐1‐Phenylethanol with Coupled Alcohol Dehydrogenase/NADH Oxidase System

Dias Gomes, Mafalda ; Bommarius, Bettina ; Anderson, Shelby ; Feske, Brent D. ; Woodley, John ; Bommarius, Andreas
in: Advanced Synthesis and Catalysis, vol: 361, issue: 11, pages: 2574-2581

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1002/adsc.201900213

 

CAMD for entrainer screening of extractive distillation process based on new thermodynamic criteria

Cignitti, Stefano ; Rodriguez-Donis, Ivonne ; Abildskov, Jens ; You, Xinqiang ; Shcherbakova, Nataliya ; Gerbaud, Vincent
in: Chemical Engineering Research and Design, vol: 147, pages: 721-733

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.cherd.2019.04.038

 

Can graphene oxide improve the performance of biocatalytic membrane?

Zhang, Hao ; Luo, Jianquan ; Li, Sushuang ; Woodley, John M. ; Wan, Yinhua
in: Chemical Engineering Journal, vol: 359, pages: 982-993

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.cej.2018.11.086

 

CFD predicted pH gradients in lactic acid bacteria cultivations

Spann, Robert ; Glibstrup, Jens ; Pellicer-Alborch, Klaus ; Junne, Stefan ; Neubauer, Peter ; Roca, Christophe ; Kold, David ; Lantz, Anna Eliasson ; Sin, Gürkan ; Gernaey, Krist V. ; Krühne, Ulrich
in: Biotechnology and Bioengineering, vol: 116, issue: 4, pages: 769-780

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1002/bit.26868

  PDF

Challenges in the development of a database of thermophysical properties of nanofluids

Mondejar, M. E. ; Regidor, M. ; Kontogeorgis, G. ; Haglind, F.
Presented at:
The 1st International Conference on Nanofluids (ICNf) and the 2nd European Symposium on Nanofluids (ESNf)

Type: Paper (Peer reviewed)

Status: Published     |    Year: 2019

 

Commercial polysulfone membranes pretreated with ethanol and NaOH: Effects on permeability, selectivity and antifouling properties

Ji, Mingbo ; Luo, Jianquan ; Wei, Jiang ; Woodley, John ; Daugaard, Anders Egede ; Pinelo, Manuel
in: Separation and Purification Technology, vol: 219, pages: 82-89

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.seppur.2019.03.020

 

Comparison of two crossover procedures for describing thermodynamic behavior of normal alkanes from singular critical to regular classical regions

Jamali, Asma ; Vinhal, Andre P. C. M. ; Behnejad, Hassan ; Yan, Wei ; Kontogeorgis, Georgios M.
in: Fluid Phase Equilibria, vol: 495, pages: 33-46

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.fluid.2019.04.030

 

Computer-aided design of ionic liquids for hybrid process schemes

Chen, Yuqiu ; Koumaditi, Evangelia ; Gani, Rafiqul ; Kontogeorgis, Georgios M. ; Woodley, John M.
in: Computers and Chemical Engineering, vol: 130

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.compchemeng.2019.106556

 

Computer-aided molecular product-process design under property uncertainties – A Monte Carlo based optimization strategy

Frutiger, Jérôme ; Cignitti, Stefano ; Abildskov, Jens ; Woodley, John M. ; Sin, Gürkan
in: Computers & Chemical Engineering, vol: 122, pages: 247-257

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.compchemeng.2018.08.021

 

Corrigendum to “Improvement of the PR-CPA equation of state for modelling of acid gases solubilities in aqueous alkanolamine solutions” [Fluid Phase Equilibria, vol. 471, 2018, 74–87]

Wang, Tianyuan ; Guittard, Philippe ; Coquelet, Christophe ; El Ahmar, Elise ; Baudouin, Olivier ; Kontogeorgis, Georgios M.
in: Fluid Phase Equilibria, vol: 485, pages: 126-127

Type: Comment/debate (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.fluid.2018.12.010

 

Design of enzymatic cascade processes for the production of low-priced chemicals

Ruales-Salcedo, Angela Viviana ; Higuita, Juan Carlos ; Fontalvo, Javier ; Woodley, John M.
in: Zeitschrift fuer Naturforschung. Section C: A Journal of Biosciences, vol: 74, issue: 3-4, pages: 77-84

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1515/znc-2018-0190

 

Design of smart liquid-liquid extraction columns for downstream separations of biopharmaceuticals using deep Q-learning algorithm

Hwangbo, Soonho ; Öner, Merve ; Sin, Gürkan
part of: Proceedings of the 29th European Symposium on Computer Aided Process Engineering, pages: 271-276, 2019, Elsevier
Presented at:
29th European Symposium on Computer Aided Process Engineering

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/B978-0-12-818634-3.50046-1

 

Economic analysis of a horizontal diabatic separation system

Papadakis, Emmanouil ; Huusom, Jakob K. ; Abildskov, Jens
in: Chemical Engineering Research and Design, vol: 147, pages: 709-720

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.cherd.2019.05.023

 

Economic Risk Analysis and Critical Comparison of Biodiesel Production Systems

Mansouri, Seyed Soheil ; Gargalo, Carina L. ; Udugama, Isuru A. ; Ramin, Pedram ; Sales-Cruz, Mauricio ; Sin, Gürkan ; Gernaey, Krist V.
part of: Biodiesel. From Production to Combustion, pages: 127-148, 2019, Springer

Type: Book chapter (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1007/978-3-030-00985-4_6

 

Effect of the composition of biomass on the quality of syngas produced from thermochemical conversion based on thermochemical data prediction

Dai, Bingye ; Zhu, Weiwei ; Mu, Liwen ; Guo, Xiaojing ; Qian, Hongliang ; Liang, Xiaodong ; Kontogeorgis, Georgios M.
in: Energy and Fuels, vol: 33, issue: 6, pages: 5253-5262

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.energyfuels.9b00106

 

Efficient transformation of CO2 to cyclic carbonates using bifunctional protic ionic liquids under mild conditions

Meng, Xianglei ; Ju, Zhaoyang ; Zhang, Suojiang ; Liang, Xiaodong ; von Solms, Nicolas ; Zhang, Xiaochun ; Zhang, Xiangping
in: Green Chemistry, vol: 21, issue: 12, pages: 3456-3463

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1039/c9gc01165j

 

Facilitating learning by failure through a pedagogical model-based tool for bioprocesses

Caño de Las Heras, Simoneta ; Gutschmann, Björn ; Gernaey, Krist V. ; Krühne, Ulrich ; Mansouri, Seyed Soheil
part of: Proceedings of the 29th European Symposium on Computer Aided Process Engineering, pages: 1825-1830, 2019, Elsevier
Presented at:
29th European Symposium on Computer Aided Process Engineering

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/B978-0-12-818634-3.50305-2

 

Gas Adsorption and Interfacial Tension with Classical Density Functional Theory

Camacho Vergara, Edgar L. ; Kontogeorgis, Georgios M. ; Liang, Xiaodong
in: Industrial & Engineering Chemistry Research, vol: 58, issue: 14, pages: 5650-5664

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.iecr.9b00137

 

Global Uncertainty and Sensitivity Analysis for Robust Design of a Rotary Kiln Process

B. Iversen, Thomas ; Sin, Gürkan
part of: Proceedings of the 29th European Symposium on Computer Aided Process Engineering, pages: 805-810, 2019, Elsevier
Presented at:
29th European Symposium on Computer Aided Process Engineering

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/B978-0-12-818634-3.50135-1

 

Group Contribution Based Estimation Method for Properties of Ionic Liquids

Chen, Yuqiu ; Kontogeorgis, Georgios M. ; Woodley, John M.
in: Industrial and Engineering Chemistry Research, vol: 58, issue: 10, pages: 4277-4292

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.iecr.8b05040

 

High-pressure densities of n-decane+o-xylene mixtures: Measurement and modelling

Kang, Kai ; Zhu, Shanshan ; Liang, Xiaodong ; Kontogeorgis, Georgios M. ; Wang, Xiaopo
in: Fluid Phase Equilibria, vol: 498, pages: 1-8

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.fluid.2019.06.014

 

Hydrogen-based self-sustaining integrated renewable electricity network (HySIREN) using a supply-demand forecasting model and deep-learning algorithms

Hwangbo, Soonho ; Nam, KiJeon ; Heo, SungKu ; Yoo, ChangKyoo
in: Energy Conversion and Management, vol: 185, pages: 353-367

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.enconman.2019.02.017

 

Impact of granule size distribution on nitrous oxide production in autotrophic nitrogen removal granular reactor

Chen, Xueming ; Sin, Gürkan ; Ni, Bing-Jie
in: Science of the Total Environment, vol: 689, pages: 700-708

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.scitotenv.2019.06.490

 

Insights into the solvation and dynamic behaviors of a lithium salt in organic- and ionic liquid-based electrolytes

Tong, Jiahuan ; Xiao, Xingqing ; Liang, Xiaodong ; von Solms, Nicolas ; Huo, Feng ; He, Hongyan ; Zhang, Suojiang
in: Physical Chemistry Chemical Physics

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2019     |    DOI: https://doi.org/10.1039/c9cp01848d

 

Integrated ionic liquid and process design involving azeotropic separation processes

Chen, Yuqiu ; Gani, Rafiqul ; Kontogeorgis, Georgios M. ; Woodley, John M.
in: Chemical Engineering Science, vol: 203, pages: 402-414

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.ces.2019.04.005

 

Mathematical Modelling and Simulation of a Trickle-Bed Reactor for Hydrotreating of Petroleum Feedstock

Ramirez-Castelan, Carlos Eduardo ; Hidalgo-Vivas, Angelica ; Brix, Jacob ; Jensen, Anker Degn ; Huusom, Jakob Kjøbsted
in: International Journal of Chemical Reactor Engineering, vol: 17, issue: 7

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1515/ijcre-2018-0176

 

Meta-modeling based efficient global sensitivity analysis for wastewater treatment plants – An application to the BSM2 model

Al, Resul ; Behera, Chitta Ranjan ; Zubov, Alexandr ; Gernaey, Krist V. ; Sin, Gürkan
in: Computers & Chemical Engineering, vol: 127, pages: 233-246

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.compchemeng.2019.05.015

  PDF

Model-Based Cost Optimization of Double-Effect Water-Lithium Bromide Absorption Refrigeration Systems

Mussati, Sergio F. ; Mansouri, Seyed Soheil ; Gernaey, Krist V. ; Morosuk, Tatiana ; Mussati, Miguel C.
in: Processes, vol: 7, issue: 1

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.3390/pr7010050

 

Modeling of Gas Solubility Using the Electrolyte Cubic Plus Association Equation of State

Sun, Li ; Kontogeorgis, Georgios M. ; von Solms, Nicolas ; Liang, Xiaodong
in: Industrial and Engineering Chemistry Research, vol: 58, issue: 37, pages: 17555-17567

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.iecr.9b03335

 

Modeling Tetra-n-butyl ammonium halides aqueous solutions with the electrolyte cubic plus association equation of state

Sun, Li ; Liang, Xiaodong ; Solms, Nicolas von ; Kontogeorgis, Georgios M.
in: Fluid Phase Equilibria, vol: 486, pages: 37 - 47

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.fluid.2018.12.033

 

Molecular tracking: A novel approach for multicomponent distillation column design

Nazemzadeh, Nima ; Udugama, Isuru A. ; Taube, Michael A. ; Abildskov, Jens ; Mansouri, Seyed Soheil
part of: Computer Aided Chemical Engineering, pages: 313-318, 2019, Elsevier

Type: Book chapter (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/B978-0-12-818634-3.50053-9

  PDF

Monte Carlo based Sensitivity Analysis and Derivative-free Optimisation

Jones, M. N. ; Hansen, C. H. ; Forero-Hernandez, H. ; Sarup, B. ; Sin, G.
Presented at:
1st International Young Professionals Conference on Process Engineering (YCPE 2019)

Type: Conference abstract for conference (Peer reviewed)

Status: Published     |    Year: 2019

  PDF

Morris screening for FMECA of valve failure modes on offshore gas reinjection

Nielsen, Emil Krabbe ; Frutiger, Jerome ; Sin, Gürkan
part of: Proceedings of the 29th European Symposium on Computer Aided Process Engineering, pages: 1315-1320, 2019, Elsevier
Presented at:
29th European Symposium on Computer Aided Process Engineering

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2019

 

New Frontiers in Biocatalysis for Sustainable Synthesis

Woodley, John M.
in: Current Opinion in Green and Sustainable Chemistry

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.cogsc.2019.08.006

 

Nitrous oxide production in autotrophic nitrogen removal granular sludge: A modeling study

Chen, Xueming ; Ni, Bing-Jie ; Sin, Gürkan
in: Biotechnology and Bioengineering, vol: 116, issue: 6, pages: 1280-1291

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1002/bit.26937

 

Novel strategies for predictive particle monitoring and control using advanced image analysis

Nielsen, Rasmus Fjordbak ; Arjomand Kermani, Nasrin ; Freiesleben, Louise la Cour ; Gernaey, Krist V. ; Mansouri, Seyed Soheil
part of: Proceedings of the 29th European Symposium on Computer Aided Process Engineering, pages: 1435-1440, 2019, Elsevier
Presented at:
29th European Symposium on Computer Aided Process Engineering

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/B978-0-12-818634-3.50240-X

 

Optimal operation of parallel dead-end filters in a continuous bio-based process

Bähner, F. D. ; Santacoloma, P. A. ; Huusom, J. K.
in: Food and Bioproducts Processing, vol: 114, pages: 263-275

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.fbp.2019.02.001

 

Output uncertainty of dynamic growth models: Effect of uncertain parameter estimates on model reliability

Anane, Emmanuel ; López C, Diana C. ; Barz, Tilman ; Sin, Gürkan ; Gernaey, Krist V. ; Neubauer, Peter ; Cruz Bournazou, Mariano Nicolas
in: Biochemical Engineering Journal, vol: 150

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.bej.2019.107247

 

Oxygen supply for enzyme-mediated biooxidations

Woodley, John
in: American Chemical Society. Abstracts of Papers (at the National Meeting)
Presented at:
256th ASC National Meeting

Type: Conference abstract in journal (Peer reviewed)

Status: Accepted/In press     |    Year: 2019

  PDF

Particle modelling using advanced image analysis and deep learning

Nielsen, R. F. ; Gernaey, K. V. ; Mansouri, S. S.
Presented at:
1st International Young Professionals Conference on Process Engineering (YCPE 2019)

Type: Conference abstract for conference (Peer reviewed)

Status: Published     |    Year: 2019

 

Pilot scale absorption experiments with carbonic anhydrase-enhanced MDEA- Benchmarking with 30 wt% MEA

Gladis, Arne ; Lomholdt, Niels F. ; Fosbøl, Philip L. ; Woodley, John M. ; von Solms, Nicolas
in: International Journal of Greenhouse Gas Control, vol: 82, pages: 69-85

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.ijggc.2018.12.017

  PDF

Pipeline puncture scenarios near fuel depots – contribution to risk and implications for land use planning

Hedlund, Frank Huess ; Pedersen, Jan Boier ; Kragh, Eva K. ; Frutiger, Jerome ; Sin, Gürkan
part of: Hazards 29, 2019, Institution of Chemical Engineers
Presented at:
29th Institution of Chemical Engineers Symposium on Hazards 2019

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2019

 

Predicting the Oxidant Demand in Full-Scale Water Treatment using an Artificial Neural Network: Uncertainty and Sensitivity Analysis

Godo-Pla, Lluís ; Emiliano, Pere ; Valero, Fernando ; Poch, Manel ; Sin, Gürkan ; Monclús, Hèctor
in: Process Safety and Environmental Protection, vol: 125, pages: 317-327

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.psep.2019.03.017

 

Process model validation and analysis for intensification of an industrial scale process

Chinda, Renata Carolina ; Ponsatorn, Rotjana ; Anantpinijwatna, Amata ; P. Pessoa, Fernando ; Woodley, John M. ; Mansouri, Seyed Soheil
part of: Proceedings of the 29th European Symposium on Computer Aided Process Engineering, pages: 955-960, 2019, Elsevier
Presented at:
29th European Symposium on Computer Aided Process Engineering

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/B978-0-12-818634-3.50160-0

 

Protic ionic liquids with low viscosity for efficient and reversible capture of carbon dioxide

Li, Fangfang ; Bai, Yinge ; Zeng, Shaojuan ; Liang, Xiaodong ; Wang, Hui ; Huo, Feng ; Zhang, Xiangping
in: International Journal of Greenhouse Gas Control, vol: 90

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.ijggc.2019.102801

  PDF

Puncture of an import gasoline pipeline – spray effects may evaporate more fuel than a Buncefield-type tank overfill event

Hedlund, Frank Huess ; Pedersen, Jan Boier ; Sin, Gürkan ; Garde, Frits G. ; Kragh, Eva K. ; Frutiger, Jérôme
in: Process Safety and Environmental Protection, vol: 122, pages: 33–47

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.psep.2018.11.007

 

PρT measurements and modelling of (n-decane + m-xylene) mixtures from 293.15 K to 363.15 K at pressures up to 60 MPa

Kang, Kai ; Liang, Xiaodong ; Kontogeorgis, Georgios M. ; Wang, Xiaopo
in: Journal of Chemical Thermodynamics, vol: 135, pages: 107-115

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.jct.2019.03.025

 

Raw material quality assessment approaches comparison in pectin production

Caroço, Ricardo F. ; Bevilacqua, Marta ; Armagan, Ibrahim ; Santacoloma, Paloma A. ; Abildskov, Jens ; Skov, Thomas ; Huusom, Jakob K.
in: Biotechnology Progress, vol: 35, issue: 2

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1002/btpr.2762

 

Reaction Engineering for the Industrial Implementation of Biocatalysis

Woodley, John M.
in: Topics in catalysis

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2019     |    DOI: https://doi.org/10.1007/s11244-019-01154-5

  PDF

Reactor Selection for Effective Continuous Biocatalytic Production of Pharmaceuticals

Lindeque, Rowan M. ; Woodley, John M.
in: Catalysts, vol: 9, issue: 3

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.3390/catal9030262

 

Resource recovery from bio-based production processes in developing Asia

Gunarathne, Duleeka Sandamali ; Udugama, Isuru A. ; Jayawardena, Sanjivani ; Gernaey, Krist V. ; Mansouri, Seyed Soheil ; Narayana, Mahinsasa
in: Sustainable Production and Consumption, vol: 17, pages: 196-214

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.spc.2018.11.008

 

Robust Batch-to-Batch Optimization with Scenario Adaptation

Kim, Boeun ; Huusom, Jakob K. ; Lee, Jay H.
in: Industrial and Engineering Chemistry Research, vol: 58, issue: 30, pages: 13664-13674

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.iecr.8b06233

 

Scale-up Modeling of a Pharmaceutical Antisolvent Crystallization via a Hybrid Method of Computational Fluid Dynamics and Compartmental Modeling

Öner, Merve ; Stocks, Stuart M. ; Abildskov, Jens ; Sin, Gürkan
part of: Proceedings of the 29th European Symposium on Computer Aided Process Engineering, pages: 709-714, 2019, Elsevier
Presented at:
29th European Symposium on Computer Aided Process Engineering

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/B978-0-12-818634-3.50119-3

 

Simulation and evaluation of utilization pathways of biomasses based on thermodynamic data prediction

Qian, Hongliang ; Chen, Wei ; Zhu, Weiwei ; Liu, Chang ; Lu, Xiaohua ; Guo, Xiaojing ; Huang, Dechun ; Liang, Xiaodong ; Kontogeorgis, Georgios M.
in: Energy, vol: 173, pages: 610-625

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.energy.2019.01.152

 

Solubility Prediction of Different Forms of Pharmaceuticals in Single and Mixed Solvents Using Symmetric Electrolyte Nonrandom Two-Liquid Segment Activity Coefficient Model

Molla, Getachew S. ; Freitag, Michael Frederick ; Stocks, Stuart Michael ; Nielsen, Kim Troensegaard ; Sin, Gürkan
in: Industrial and Engineering Chemistry Research, vol: 58, issue: 10, pages: 4267-4276

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.iecr.8b04268

 

Spatial Discretization and Kalman Filtering for Ideal Packed-Bed Chromatography

Horsholt, Alexander ; Christiansen, Lasse Hjuler ; Meyer, Kristian ; Huusom, Jakob Kjøbsted ; Jørgensen, John Bagterp
part of: Proceedings of the18th European Control Conference (ECC), pages: 2356-2361, 2019, IEEE
Presented at:
18th European Control Conference (ECC19)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.23919/ECC.2019.8796219

 

Sustainable and reliable design of reverse osmosis desalination with hybrid renewable energy systems through supply chain forecasting using recurrent neural networks

Li, Qian ; Loy-Benitez, Jorge ; Nam, Ki Jeon ; Hwangbo, Soonho ; Rashidi, Jouan ; Yoo, ChangKyoo
in: Energy, vol: 178, pages: 277-292

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.energy.2019.04.114

 

Sustainable solutions by integrating process synthesis-intensification

Garg, Nipun ; Woodley, John M. ; Gani, Rafiqul ; Kontogeorgis, Georgios M.
in: Computers & Chemical Engineering, vol: 126, pages: 499–519

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.compchemeng.2019.04.030

 

Systematic decision-support methodology for identifying promising platform technologies towards circular economy

Silk, Dominic ; Mazzali, Beatrice ; A. Udugama, Isuru ; Gernaey, Krist V. ; Pinelo, Manuel ; Woodley, John ; Mansouri, Seyed Soheil
part of: Proceedings of the 29th European Symposium on Computer Aided Process Engineering, pages: 1513-1518, 2019, Elsevier
Presented at:
29th European Symposium on Computer Aided Process Engineering

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/B978-0-12-818634-3.50253-8

 

Systematic downstream process synthesis, design and analysis for butanol production

Lund, Nicklas L. ; Pinto, Tiago ; Junicke, Helena ; Mansouri, Seyed S.
Presented at:
KT Consortium Annual Meeting

Type: Poster (Peer reviewed)

Status: Published     |    Year: 2019

 

Systematic Model-Based Methodology for Substitution of Hazardous Chemicals

Jhamb, Spardha ; Liang, Xiaodong ; Gani, Rafiqul ; Kontogeorgis, Georgios M.
in: ACS Sustainable Chemistry & Engineering, vol: 7, issue: 8, pages: 7652-7666

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1021/acssuschemeng.8b06064

  PDF

Taking Another Look at the van der Waals Equation of State – Almost 150 Years Later

Kontogeorgis, Georgios M. ; Privat, Romain ; Jaubert, Jean-Noël
in: Journal of Chemical and Engineering Data

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2019     |    DOI: https://doi.org/10.1021/acs.jced.9b00264

 

The Monte Carlo driven and Machine Learning enhanced Process Simulator

Jones, Mark Nicholas ; Frutiger, Jérôme ; Ince, Nevin Gerek ; Sin, Gürkan
in: Computers & Chemical Engineering, vol: 125, pages: 324-338

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.compchemeng.2019.03.016

 

The Potential of Biogas; The Solution to Energy Storage

Villadsen, Sebastian N. B. ; Fosbøl, Philip L. ; Angelidaki, Irini ; Woodley, John M. ; Nielsen, Lars P. ; Møller, Per
in: ChemSusChem, vol: 12, issue: 10, pages: 2147-2153

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1002/cssc.201900100

 

Thermodynamic and kinetic properties of NH3-K2CO3-CO2-H2O system for carbon capture applications

Lillia, Stefano ; Bonalumi, Davide ; Fosbøl, Philip L. ; Thomsen, Kaj ; Jayaweera, Indira ; Valenti, Gianluca
in: International Journal of Greenhouse Gas Control, vol: 85, pages: 121-131

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.ijggc.2019.03.019

 

Towards development of a decision support tool for conceptual design of wastewater treatment plants using stochastic simulation optimization

Al, Resul ; Behera, Chitta Ranjan ; Gernaey, Krist V. ; Sin, Gürkan
part of: Proceedings of the 29th European Symposium on Computer Aided Process Engineering, pages: 325-330, 2019, Elsevier
Presented at:
29th European Symposium on Computer Aided Process Engineering

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/B978-0-12-818634-3.50055-2

 

Uncertainty in the prediction of the thermophysical behavior of new halogenated working fluids

Mondejar, Maria E. ; Frutiger, Jérôme ; Cignitti, Stefano ; Abildskov, Jens ; Sin, Gürkan ; Woodley, John M. ; Haglind, Fredrik
in: Fluid Phase Equilibria, vol: 485, pages: 220-233

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2019     |    DOI: https://doi.org/10.1016/j.fluid.2018.12.020

 

Use of Image Analysis to Understand Enzyme Stability in an Aerated Stirred Reactor

Dias Gomes, Mafalda ; Moiseyenko, Rayisa P. ; Baum, Andreas ; Jørgensen, Thomas M. ; Woodley, John M.
in: Biotechnology Progress

Type: Journal article (Peer reviewed)

Status: Accepted/In press     |    Year: 2019     |    DOI: https://doi.org/10.1002/btpr.2878

2018
 

Advances in chemical product design

Zhang, Lei ; Fung, Ka Yip ; Wibowo, Christianto ; Gani, Rafiqul
in: Reviews in Chemical Engineering, vol: 34, issue: 3, pages: 319-340

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1515/revce-2016-0067

 

A General Model-based Methodology for Chemical Substitution

Jhamb, Spardha ; Liang, Xiaodong ; Gani, Rafiqul ; Kontogeorgis, Georgios M.
part of: Proceedings of the 28th European Symposium on Computer Aided Process Engineering – ESCAPE 28, pages: 887-892, 2018, Elsevier
Presented at:
28th European Symposium on Computer Aided Process Engineering (Escape 28)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1016/B978-0-444-64235-6.50155-8

 

A Methodology for Development of a Pedagogical Simulation Tool used in Fermentation Applications

de las Heras, Simoneta Caño ; Mansouri, Seyed Soheil ; Cignitti, Stefano ; Uellendahl, Hinrich ; Weitze, Charlotte Lærke ; Gernaey, Krist V. ; Rootzén, Helle ; Krühne, Ulrich
part of: Proceedings of the 13th International Symposium on Process Systems Engineering – PSE 2018 , pages: 1621-1626, 2019, Elsevier
Presented at:
13th International Symposium on Process Systems Engineering (PSE 2018)

Type: Book chapter (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1016/B978-0-444-64241-7.50265-2

 

A Multi-stage and Multi-level Computer Aided Framework for Sustainable Process Intensification

Garg, Nipun ; Kontogeorgis, Georgios M. ; Woodley, John M. ; Gani, Rafiqul
part of: Proceedings of the 28th European Symposium on Computer Aided Process Engineering – ESCAPE 28, pages: 875-880, 2018, Elsevier
Presented at:
28th European Symposium on Computer Aided Process Engineering (Escape 28)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1016/B978-0-444-64235-6.50153-4

 

Analysis and Evaluation of a Heat Integrated Horizontal Distillation System

Papadakis, Emmanouil ; Mansouri, Seyed Soheil ; Huusom, Jakob K. ; Abildskov, Jens
part of: Chemical Engineering Transactions, pages: 643-648, 2019, AIDIC

Type: Book chapter (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.3303/CET1869108

 

Analysis and evaluation of periodic separations using COPS trays

Nielsen, Adem A.R. ; Álvarez, Elena Carrasquer ; Carlsen, Niels F. V. ; Azizi, Haroon U. R. ; Jørgensen, Sten Bay ; Abildskov, Jens
part of: Chemical Engineering Transactions, pages: 733-738, 2019, AIDIC

Type: Book chapter (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.3303/CET1869123

  PDF

Application of a Crossover Equation of State to Describe Phase Equilibrium and Critical Properties of n-Alkanes and Methane/n-Alkane Mixtures

P. C. M. Vinhal, Andre ; Yan, Wei ; Kontogeorgis, Georgios M.
in: Journal of Chemical and Engineering Data, vol: 63, pages: 981-993

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1021/acs.jced.7b00779

 

Application of COSMO-RS and UNIFAC for ionic liquids based gas separation

Liu, Xinyan ; Zhou, Teng ; Zhang, Xiangping ; Zhang, Suojiang ; Liang, Xiaodong ; Gani, Rafiqul ; Kontogeorgis, Georgios M.
in: Chemical Engineering Science, vol: 192, pages: 816-828

Type: Journal article (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1016/j.ces.2018.08.002

 

Application of Uncertainty Analysis in the Design of Subsea Natural Gas Dehydration Units

Kruger, Francois ; Kontogeorgis, Georgios M. ; von Solms, Nicolas
part of: Proceedings of the Abu Dhabi International Petroleum Exhibition & Conference, 2018, Society of Petroleum Engineers
Presented at:
Abu Dhabi International Petroleum Exhibition and Conference

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.2118/192822-MS

 

A Systematic Methodology for Property Model-Based Chemical Substitution from Chemical-based Products

Jhamb, Spardha ; Liang, Xiaodong ; Gani, Rafiqul ; Kontogeorgis, Georgios M.
part of: Proceedings of the 13th International Symposium on Process Systems Engineering – PSE 2018, pages: 349-354, 2018, Elsevier
Presented at:
13th International Symposium on Process Systems Engineering (PSE 2018)

Type: Article in proceedings (Peer reviewed)

Status: Published     |    Year: 2018     |    DOI: https://doi.org/10.1016/B978-0-444-64241-7.50053-7