PSEPublications

Publications

Publications (2020-Present)

V Mann, M Sales-Cruz, R Gani, V Venkatasubramanian. eSFILES: Intelligent process flowsheet synthesis using process knowledge, symbolic AI, and machine learning, Computers & Chemical Engineering, 2024:108505.
G Mongkhonsiri, N Thongchul, A Arpornwichanop, JH Lee, R Gani, S. Assabumrungrat. A systematic design of integrated palm-oil biorefinery networks: Identifying sustainable solutions, Sustainable Production and Consumption, 42, 2023:138-157.
Y Chen, X Liu, Y Lei, X Liang, R Gani, G M Kontogeorgis. A novel hybrid process design for efficient recovery of hydrophilic ionic liquids from dilute aqueous solutions, AIChE J, 2023: e18198.
A Kovacs, P Nimmegeers, A Cunha, J Brancart, SS Mansouri, R Gani, P Billen. Hybrid substitution workflows should accelerate the uptake of chemical recyclates in polymer formulations, Current Opinion in Green and Sustainable Chemistry, 2023:100801.
V Mann, R Gani, V Venkatasubramanian. Group contribution-based property modeling for chemical product design: A perspective in the AI era, Fluid Phase Equilibria, 2023:113734.
IF Martínez-Galmiche, N Ramírez-Corona, C Conde-Mejía, R Gani, A Jiménez-Gutiérrez. Design of energy-efficient ionic liquid-based extractive distillation systems for ethanol dehydration including alternatives for ionic liquid recovery, Chemical Engineering Research and Design, 188, 2022: 238-248.
V Mann, K Brito, R Gani, V Venkatasubramanian. Hybrid, Interpretable Machine Learning for Thermodynamic Property Estimation using Grammar2vec for Molecular Representation, Fluid Phase Equilibria, 561, 2022:113631.
W Zhang, N Garg, MP Andersson, Q Chen, B Zhang, R Gani, SS Mansouri. Intensified separation alternatives for offshore natural gas sweetening, Separation and Purification Technology, 286, 2022: 120436.
M Martin, R Gani, I Mujtaba. Sustainable process synthesis, design, and analysis: Challenges and opportunities, Sustainable Production and Consumption, 30, 2022: 686-705.
Y Li, J Wei, Z Yuan, B Chen, R Gani. Sustainable Synthesis of Integrated Process, Water Treatment, Energy Supply, and CCUS Networks Under Uncertainty, Computers & Chemical Engineering, 157, 2022:107636.
X Liu, H Luo, Y Lei, X Wu, R Gani. Heat-Pump-Assisted Reactive Distillation for Direct Hydration of Cyclohexene to Cyclohexanol: A Sustainable Alternative, Separation and Purification Technology, 280, 2022:119808
AS Alshehri, AK Tula, F You, R Gani. Next Generation Pure Component Property Estimation Models: With and Without Machine Learning Techniques, AIChE J, 68 (6), 2021: e17469.
X Liu, Y Chen, S Zeng, X Zhang, X Liang, R Gani, GM Kontogeorgis. Separation of NH3/CO2 from melamine tail gas with ionic liquid: Process evaluation and thermodynamic properties modelling, Separation and Purification Technology, 2021:119007.
T Zhou, R Gani, K Sundmacher. Hybrid data-driven and mechanistic modeling approaches for multiscale material and process design, Engineering, 7 (9), 2021:1231-1238.
G Mongkhonsiri, A Anantpinijwatna, P Charoensuppanimit, A Arpornwichanop, R Gani, S Assabumrungrat. Novel biorefinery-Integrated-Kraft-pulping network for sustainable development, Chemical Engineering and Processing-Process Intensification, 163, 2021:108373.
A Iftekhar, SS Mansouri, A Nahid, AK Tula, MAAS Choudhury, JH Lee, R Gani. Integrated Design and Control of Reactive Distillation Processes Using the Driving Force Approach, AIChE Journal, 2021:17227.
EN Pistikopoulos, A Barbosa-Povoa, JH Lee, R Misener, A Mitsos, GV Reklaitis, V. Venkatasubramanian, F You, R Gani. Process Systems Engineering–The Generation Next?, Computers & Chemical Engineering, 147, 2021: 107252
S Chai, L Zhang, J Du, AK Tula, R Gani, MR Eden. A Versatile Modeling Framework for Integrated Chemical Product Design, Industrial & Engineering Chemistry Research, 60 (1), 2021: 436-456
Q Liu, L Zhang, K Tang, L Liu, J Du, Q Meng, R Gani. Machine learning-based atom-contribution method for the prediction of surface charge density profiles and solvent design, AIChE Journal, 67 (2), 2020:e17110
H Ababnah, N Mohamed, H Choudhury, L Zhang, R Gani, G McKay, N Elbashir. Enhancing the Lubricity of Gas-to-Liquid (GTL) Paraffinic Kerosene: Impact of the Additives on the Physicochemical Properties, BMC Chemical Engineering, 2 (9), 2020
N Garg, GM Kontogeorgis, R Gani, JM Woodley. A process synthesis-intensification method for generation of novel and intensified solutions, Chemical Engineering and Processing-Process Intensification, 156, 2020:108103
AS Alshehri, R Gani, F You. Deep Learning and Knowledge-Based Methods for Computer Aided Molecular Design–Toward a Unified Approach: State-of-the-Art and Future Directions, Computers & Chemical Engineering, 141, 2020:107005
Y Li, L Zhang, Z Yuan, R Gani. Synthesis and design of sustainable integrated process, water treatment and power generation networks, Computers & Chemical Engineering, 141, 2020: 107041
G Mongkhonsiri, P Charoensuppanimit, A Anantpinijwatna, R Gani, S. Assabumrungrat. Process development of sustainable biorefinery system integrated into the existing pulping process, Journal of Cleaner Production, 255, 2020:120278
AK Tula, J Wang, X Chen, SS Mansouri, R Gani, 2020, ProCACD: A computer-aided versatile tool for process control, Computers & Chemical Engineering, 106771
S Chai, Q Liu, X Liang, Y Guo, S Zhang, C Xu, J Du, Z Yuan, L Zhang, Gani. A grand product design model for crystallization solvent design, Computers & Chemical Engineering, 135, 2020:106764
OA Perederic, SS Mansouri, S Appel, B Sarup, R Gani, JM Woodley, G Kontogeorgis, 2020, Process analysis of shea butter solvent fractionation using a generic systematic approach, Industrial & Engineering Chemistry Research, 59 (19), 2020: 9152-9164
X Zhang, Z Song, R Gani, T Zhou, 2020, Comparative Economic Analysis of Physical, Chemical, and Hybrid Absorption Processes for Carbon Capture, Industrial & Engineering Chemistry Research
R Gani, J Bałdyga, B Biscans, E Brunazzi, JC Charpentier, E Drioli, 2020, A multi-layered view of chemical and biochemical engineering, Chemical Engineering Research and Design 155, 133-145
L Zhang, H Mao, Q Liu, R Gani, 2020, Chemical product design–recent advances and perspectives, Current Opinion in Chemical Engineering 27, 22-34
AK Tula, MR Eden, R Gani. 2020, Computer-aided process intensification: Challenges, trends and opportunities. AIChE J. (2020;66:e16819).
X Liu, Y Chen, S Zeng, X Zhang, S Zhang, X Liang, R Gani, GM Kontogeorgis, 2020, Structure Optimization of Tailored Ionic Liquids and Process Simulation for Shale Gas Separation, AIChE J. (2020;66:e16794).
Y Chen, E Koumaditi, R Gani, GM Kontogeorgis, JM Woodley, 2019, Computer-aided design of ionic liquids for hybrid process schemes, Computers & Chemical Engineering, 130, 106556
JP O’Connell, MR Eden, AK Tula, R Gani, 2019, Retrofitting Distillation Columns with Membranes, Chemical Engineering Progress, 115 (12), 41-49
AK Tula, MR Eden, R Gani, 2019, Hybrid method and associated tools for synthesis of sustainable process flowsheets, Computers & Chemical Engineering 131, 106572
T Lopez-Arenas, M Sales-Cruz, R Gani, ES Pérez-Cisneros, 2019, Thermodynamic Analysis of the Driving Force Approach: Reactive Systems, Computers & Chemical Engineering, 129, 106509
T Lopez-Arenas, SS Mansouri, M Sales-Cruz, R Gani, ES Pérez-Cisneros, 2019, A Gibbs Energy-Driving Force Method for the Optimal Design of Non-reactive and Reactive Distillation Columns, Computers & Chemical Engineering 128, 53-68
N Garg, JM Woodley, R Gani, GM Kontogeorgis, 2019, Sustainable solutions by integrating process synthesis-intensification, Computers & Chemical Engineering 126, 499-519
R Privat, E Moine, B Sirjean, R Gani, JN Jaubert, 2019, Application of the corresponding-state law to the parameterization of SAFT-type models: generation and use of “generalized charts” Industrial & Engineering Chemistry Research 58 (21), 9127-9139
R Gani, 2019, Group contribution-based property estimation methods: advances and perspectives. Current Opinion in Chemical Engineering 23, 184-196
LL Simon, AA Kiss, J Cornevin, R Gani, 2019, Process engineering advances in pharmaceutical and chemical industries: digital process design, advanced rectification, and continuous filtration Current Opinion in Chemical Engineering (doi.org/10.1016/j.coche.2019.02.005)
T Zhou, Z Song, X Zhang, R Gani, K Sundmacher, 2019, Optimal Solvent Design for Extractive Distillation Processes: A Multi-objective Optimization based Hierarchical Framework. Industrial & Engineering Chemistry Research, 58, 5777-5786
S Jhamb, X Liang, R Gani, GM Kontogeorgis, 2019, A Systematic Model-based Methodology for Substitution of Hazardous Chemicals, ACS Sustainable Chemistry & Engineering 7, 7652-7666
Q Liu, L Zhang, L Liu, J Du, Q Meng, R Gani, 2019, Computer-Aided Reaction Solvent Design based on Transition State Theory and COSMO-SAC, Chemical Engineering Science 202, 300-317
Y Chen, R Gani, GM Kontogeorgis, JM Woodley, 2019, Integrated ionic liquid and process design involving azeotropic separation processes, Chemical Engineering Science 203, 402-414
KM Ng, R Gani, 2019, Chemical Product Design: Advances in and Proposed Directions for Research and Teaching, Computers & Chemical Engineering 126, 147-156
R Vooradi, SB Anne, AK Tula, MR Eden, R Gani, 2019, Energy and CO2 management for chemical and related industries: issues, opportunities and challenges, BMC Chemical Engineering 1 (1), 7
Q Liu, L Zhang, K Tang, L Liu, J Du, Q Meng, R Gani, 2021, Machine learning-based atom-contribution method for the prediction of surface charge density profiles and solvent design AIChE Journal, 67 (2), e17110
S Chai, L Zhang, J Du, AK Tula, R Gani, MR Eden, 2021, A Versatile Modeling Framework for Integrated Chemical Product Design, Industrial & Engineering Chemistry Research, 60 (1), 436-456
A Iftakher, SS Mansouri, A Nahid, AK Tula, MAAS Choudhury, JH Lee, R Gani, 2021, Integrated Design and Control of Reactive Distillation Processes Using the Driving Force Approach, AIChE Journal.
EN Pistikopoulos, A Barbosa-Povoa, JH Lee, R Misener, A Mitsos, GV Reklaitis, V. Venkatasubramanian, F You, R Gani, 2021, Process Systems Engineering–The Generation Next?Computers & Chemical Engineering, 147, 107252
Y Li, F You, Z Yuan, R Gani, 2021, Synthesis and Design of Sustainable Integrated Process, Water Treatment, Energy Supply Networks and Carbon Utilization Networks Under Uncertainty, Computer Aided Chemical Engineering 50, 1497-1503
S Chai, L Zhang, J Du, AK Tula, R Gani, MR Eden, 2021, A versatile modelling system for integrated chemical product design problems, Computer Aided Chemical Engineering 50, 75-80
N Kuprasertwong, O Padungwatanaroj, A Robin, K Udomwong, AK Tula, …, 2021, Computer-Aided Refrigerant Design: New Developments, Computer Aided Chemical Engineering 50, 19-24
K Udomwong, A Robin, N Kuprasertwong, O Padungwatanaroj, AK Tula, …, 2021, ProREFD: Tool for Automated Computer-Aided Refrigerant Design, Analysis, and Verification, Computer Aided Chemical Engineering 50, 457-462
Q Liu, L Zhang, J Du, R Gani, 2021, Computer-Aided Solvent Design Integrated with a Machine Learning-based Atom Contribution Method, Computer Aided Chemical Engineering 50, 69-74
AS Alshehri, AK Tula, L Zhang, R Gani, F You, 2021, A Platform of Machine Learning-Based Next-Generation Property Estimation Methods for CAMD, Computer Aided Chemical Engineering 50, 227-233
A Iftakher, SS Mansouri, A Nahid, AK Tula, MAAS Choudhury, JH Lee, …, 2021, Driving Force Based Design and Control Performance Analysis of Reactive Distillation Columns, Computer Aided Chemical Engineering 50, 1209-1214
G Mongkhonsiri, A Anantpinijwatna, P Charoensuppanimit, …, 2021, Development of sustainable integrated biorefinery networks in pulp and paper industries, Computer Aided Chemical Engineering 50, 1517-1522

Selected Older Publications

Reviews

R Gani. Chemical Product Design: Challenges & Opportunities, Computers & Chemical Engineering, 28, (2004): 2441-2457
L P Cunico, A S Hukkerikar, R Ceriani, R Gani. Molecular Structure Based Physical Properties Modeling: A Review, Fluid Phase Equilibria, 357 (2013): 2-18
Z Yuan, M Eden, R Gani. Towards the Development and Deployment of Large-Scale Carbon Dioxide Capture and Conversion Processes, Industrial & Engineering Chemistry Research, 55 (12), (2015): 3383-3419
L Zhang, D K Babi, R Gani.New vistas in chemical product-process design, Annual Review of Chemical and Biomolecular Engineering, 7, (2016): 557-582
R Vooradi, M O Bertran, R Frauzem, S B Anne, R Gani. Sustainable chemical processing and energy-carbon dioxide management: Review of challenges and opportunities, Chemical Engineering Research and Design. 131, (2018): 440-464

Modelling – properties

L Constantinou, R. Gani. A New Group Contribution Method for the Estimation of Properties of Pure Components, AIChE Journal, 40, (1994): 1697-1710
J Marrero, R Gani.Group Contribution Based Estimation of Pure Component Properties, Fluid Phase Equilibra, 183-184, (2001): 183-208
V van Speybroeck, R Gani, R J Meier. The calculation of thermodynamic properties of molecules, Chemical Society Review, 39 (2010): 1764-1779
A S Hukkerikar, B Sarup, A Ten Kate, J Abildskov, G Sin, R Gani.Group-contribution+ (GC+) based estimation of properties of pure components: Improved property estimation and uncertainty analysis, Fluid Phase Equilibria, 321, (2012): 25-43
S H Kim, A Anantpinijwatna, J W Kang, R Gani.Analysis and modeling of alkali halide aqueous solutions, Fluid Phase Equilibria, 412 (25), (2016): 177-198

Modelling – process

R Gani, C A Ruiz, I T Cameron. A generalized dynamic model for distillation columns -I. Model description and applications, Computers and Chemical Engineering, 10, (1986): 181-198
V Soni, J Abildskov, G Jonsson, R Gani. A general model for membrane-based separation processes, Computers and Chemical Engineering, 33, (2009): 644-659
N A F A Samad, R Singh, G Sin, K Gernaey, R Gani. A generic multi-dimensional model-based system for batch cooling crystallization processes, Computers & Chemical Engineering, 35, (2011), 828-843
A Mosat, E Lueshen, M. Heitzig, C. Hall, A A Linninger, G. Sin, R Gani.First principles pharmacokinetic modeling – A quantitative study on Cycloporin, Computers & Chemical Engineering, 54, (2013): 97-110
E Papadakis, S Pedersen, AK Tula, M Fedorova, JM Woodley, R Gani. Model-based design and analysis of glucose isomerization process operation, Computers & Chemical Engineering, 98, (2017):128-142

Process synthesis-design

Jaksland, R. Gani, K Lien, Separation Process Design and Synthesis Based on Thermodynamic Insights, Chemical Engineering Science, 50, (1995): 511-530
R Gani, E. Bek-Pedersen. A Simple New Algorithm for Distillation Column Design, AIChE Journal, 46 (6), (2001): 1271-1274
S Kossack, K Kraemer, R Gani, W Marquardt. A Systematic Synthesis Framework for Extractive Distillation Processes, Chemical Engineering Research and Design, 86, (2008): 781-792
A K Tula, M R Eden, R Gani.Process synthesis, design and analysis using a process-group contribution method, Computers & Chemical Engineering, 81, (2015): 245-259
M O Bertran, R Frauzem, A S Sanchez-Arcilla, L Zhang, J M. Woodley, R Gani. A generic methodology for processing route synthesis and design based on superstructure optimization, Computers & Chemical Engineering, 106, (2017): 892-910

Product synthesis-design

R Gani, B Nielsen, Aa Fredenslund. A group contribution approach to computer aided molecular design, AIChE Journal, 37, (1991): 1318-1332
R Gani, C Jiménez-González, A ten Kate, P A Crafts, M Jones, L Powell, J H Atherton, J L Cordiner. A Modern Approach to Solvent Selection, Chemical Engineering, (March), (2006): 30-43
E Conte, R Gani, K M Ng. Design of formulated products: a systematic methodology, AIChE Journal, 57(9), (2011): 2431-2449
M Mattei, G M Kontogeorgis, R Gani. A Comprehensive Framework for Surfactant Selection and Design for Emulsion Based Chemical Product Design, Fluid Phase Equilibria, 362, (2014): 288-299
H A Choudhury, S Intikhab, S Kalakul, M Khan, R Tafreshi, R Gani, N Elbashir, Designing a Surrogate Fuel for Gas-to-Liquid (GTL) Derived Diesel, Energy & Fuels, 31, (2017): 11266-11279

Sustainable solutions

A Carvalho, R Gani, H Matos. Design of sustainable chemical processes: Systematic retrofit analysis, generation and evaluation alternatives, Process Safety and Environmental Protection, 86, (2008): 781-792
D K Babi, J Holtbruegge, P Lutze, A Gorak, J M Woodley, R Gani.Sustainable process synthesis–intensification, Computers & Chemical Engineering, 81, (2015): 218-244
K Roh, R Frauzem, R Gani, J H Lee. Process systems engineering issues and applications towards reducing carbon dioxide emissions through conversion technologies: Review, Chemical Engineering Research & Design, 116, (2016): 27-47
P Kongpanna, V Pavarajarn, R Gani, S Assabumrungrat, Techno-economic evaluation of different CO2-based processes for dimethyl carbonate production, Chemical Engineering Research & Design, 93, (2015): 496-510.
A K Tula, B Befort, N Garg, K V Camarda, R Gani. Sustainable Process Design & Analysis of Hybrid Separations, Computers & Chemical Engineering, 105, (2017): 96-104

Integrated Solution Approaches

M K A Hamid; G Sin; R Gani. Integration of process design and controller design for chemical processes using model-based methodology, Computers and Chemical Engineering, 34, (2010): 683-699
A Quaglia, B Sarup, G Sin, R Gani. A systematic framework for enterprise-wide optimization: synthesis and design of processing network under uncertainty, Computers and Chemical Engineering, 59, (2013): 47-62
P Kongpanna, D K Babi, V Pavarajarn, S Assabumrungrat, R Gani. Integrated computer aided tools for process synthesis and design for sustainable production of CO2-based dimethyl carbonate, Computers & Chemical Engineering, 87, (2016): 125-144
S S Mansouri, J K Huusom, R Gani, M Sales‐Cruz. Systematic integrated process design and control of binary element reactive distillation processes, AIChE Journal, 62 (9), (2016): 3137-3154
G Mongkhonsiri, R Gani, P Malakul, S Assabumrungrat. Integration of the biorefinery concept for the development of sustainable processes for pulp and paper industry, Computers & Chemical Engineering, 119, (2018): 70-84

Computer-aided tools

A Carvalho, H A Matos, R Gani.SustainPro – A tool for systematic process analysis, generation and evaluation of sustainable design alternatives, Computers & Chemical Engineering, 50, (2013): 8-27
S Kalakul, P Malakul, K Siemanond, R Gani.Integrated of Life Cycle Assessment Software with Tools for Economic and Sustainability Analyses and Process Simulation for Sustainable Process Design, Journal of Cleaner Production, 71, (2014): 98-109
L Zhang, S Cignitti, R Gani. Generic mathematical programming formulation and solution for computer aided molecular design, Computers & Chemical Engineering, 78, (2015): 79-84.
E Papadakis, A Anantpinijwatna, JM Woodley, R Gani, A Reaction Database for Small Molecule Pharmaceutical Processes Integrated with Process Information, Processes 5 (4), (2017), 58
A K Tula, D K Babi, J Bottlaender, M Eden, R Gani, A computer-aided tool for sustainable process synthesis-intensification, Computers & Chemical Engineering. 105, (2017): 74-95

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