Publications (2016-Present)

• E Papadakis, JM Woodley, R Gani, “Perspective on PSE in pharmaceutical process development and innovation” , Computer Aided Chemical Engineering 41, (2018): 597-656
• Lei Zhang, Ka Yip Fung, Christianto Wibowo, Rafiqul Gani, “Advances in Chemical Product Design”, Reviews in Chemical Engineering. 34 (3), (2018): 319-340
• Spardha Jhamb, Xiaodong Liang, Rafiqul Gani, Amol S. Hukkerikar, “Estimation of physical properties of amino acids by group contribution method”, Chemical Engineering Science, 175, (2018): 148-161.
• Sawitree Kalakul, Lei Zhang, Zhou Fang, Hanif A Choudhury, Saad Intikhab, Nimir Elbashir, Mario R Eden, Rafiqul Gani, “Computer aided chemical product design – ProCAPD & tailor-made blended products”, Computers & Chemical Engineering , (2018). https://doi.org/10.1016/j.compchemeng.2018.03.029
• Negro, C, Garcia-Ochoa, F, Tanguy, P, Ferreira, G, Thibault, J, Yamamoto, S, Gani, R,  “Barcelona Declaration – 10th World Congress of Chemical Engineering, 1–5 October 2017” Chemical Engineering Research & Design, 129, (2018), A1-A2
• Damaceno, D S, Perederic, O, A, Ceriani, R, Kontogeorgis, G M, Gani, R, “Improvement of predictive tools for vapor-liquid equilibrium based on group contribution methods applied to lipid technology”, Fluid Phase Equilibria, 470, (2018): 249-258
• Olivia A. Perederic, Larissa P. Cunico, Sawitree Kalakul, Bent Sarup, John M. Woodley, Georgios M. Kontogeorgis, Rafiqul Gani, “Systematic Identification Method for Data Analysis and Phase Equilibria Modelling for Lipids Systems”, The Journal of Chemical Thermodynamics, 121, (2018): 153-169
• Ramsagar Vooradi, Maria-Ona Bertran, Rebecca Frauzem, Sarath Babu Anne, Rafiqul Gani,  “Sustainable chemical processing and energy-carbon dioxide management: Review of challenges and opportunities”, Chemical Engineering Research and Design. 131, (2018): 440-464
• Arick C Landero, Arturo Jimenez-Guiterrez, Rafiqul Gani, “An intensification methodology to minimize equipment units and its application to a process to produce dioxolane products”, Industrial & Engineering Chemistry Research, 57, (2018): 9810-9820
• Teng Zhou, Spardha Jhamb, Xiaodong Liang, Kai Sundmacher, Rafiqul Gani,  “Prediction of Acid Dissociation Constants of Organic Compounds Using Group Contribution Methods”, Chemical Engineering Science 183, (2018): 95-105.
• Zhang, Lei; Kalakul, Sawitree; Liu, Linlin; Elbashir, Nimir; Du, Jian; Gani, Rafiqul,  “A Computer-Aided Methodology for Mixture-Blend Design. Applications to Tailor-Made Design of Surrogate Fuels”, Industrial & Engineering Chemistry Research, 57 (20), (2018): 7008–7020.
• Zhang, Lei; Liu, Linlin; Du, Jian; Gani, Rafiqul,  “A Machine Learning Based Computer-aided Molecular Design/Screening Methodology for Fragrance Molecules”, Computers & Chemical Engineering, 115, (2018): 295-308.
• X Liu, T Zhou, X Zhang, S Zhang, X Liang, R Gani, GM Kontogeorgis,  “Application of COSMO-RS and UNIFAC for Ionic Liquids based Gas Separation”, Chemical Engineering Science, 192, (2018): 816-828
• 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
• Zhao, Y., Gani, R., Afzal, R.M., Zhang, X., Zhang, S., “Ionic liquids for absorption and separation of gases: An extensive database and a systematic screening method”, AIChE J. 63 (4), (2017): 1353-1367
• J.-C. de Hemptinne, J.-H. Ferrasse, A. Gorak, S. Kjelstrup, F. Maréchal, O. Baudouin, R. Gani. “Energy efficiency as an example of cross-discipline collaboration in chemical engineering” Chemical Engineering Research and Design, 119, (2017): 183-187
• Anjan K. Tula, Deenesh K. Babi, Jack Bottlaender, Mario R. Eden, and R Gani. “A computer-aided software-tool for sustainable process synthesis-intensification.” Computers & Chemical Engineering (2017). http://dx.doi.org/10.1016/j.compchemeng.2017.01.001
• Maria-Ona Bertran, Rebecca Frauzem, Ana-Sofia Sanchez-Arcilla, Lei Zhang, John M. Woodley, and R Gani. “A generic methodology for processing route synthesis and design based on superstructure optimization.” Computers & Chemical Engineering (2017). http://dx.doi.org/10.1016/j.compchemeng.2017.01.030
• Anjan K. Tula. “Computer aided sustainable process synthesis-design and analysis.” PhD-thesis, Technical University of Denmark, Lyngby, Denmark. (2017).
• Aditya Anugerah Putra, Renanto Handogo Juwari, and R Gani. “Evaluation and Comparison of Carbon Dioxide Capture Using MEA and DEA.” International Journal of Applied Chemistry 12, (2016): 88-92.
• Debalina Sengupta, Yinlun Huang, Cliff I. Davidson, Thomas F. Edgar, Mario Eden, and Mahmoud M. El-Halwagi. “Using Module-Based Learning Methods to Introduce Sustainable Manufacturing Engineering Curriculum.” International Journal of Sustainability in Higher Education 18, (2017): 307 – 328.
• Zhihong Yuan and Mario R. Eden. “Superstructure optimization of integrated fast pyrolysis‐gasification for production of liquid fuels and propylene.” AIChE Journal, 62, (2016): 3155-3176.
• Emmanouil Papadakis, Sven Pedersen, Anjan K. Tula, Marina Fedorova, John M. Woodley, and R Gani. “Model-based design and analysis of glucose isomerization process operation.” Computers & Chemical Engineering, 98 (2017): 128-142.
• Anjan K. Tula, Bridgette Befort, Nipun Garg, Kyle V. Camarda, and R Gani. “Sustainable process design & analysis of hybrid separations.” Computers & Chemical Engineering (2017). http://dx.doi.org/10.1016/j.compchemeng.2016.11.031
• Sawitree Kalakul, and Stefano Cignitti, Lei Zhang, R Gani. “Chapter 3 – VPPD lab: The Chemical Product Simulator” Computer-aided Chemical Engineering, 39 (2017): 61-94
• Rafiqul Gani, L. Zhang, Sawitree Kalakul, and Stefano Cignitti. “Chapter 6 – Computer-Aided Molecular Design and Property Prediction.”  Computer-aided Chemical Engineering, 39 (2017): 153-196
• Kosan Roh, Rebecca Frauzem, R. Gani, Jay H. Lee. “Process systems engineering issues and applications towards reducing carbon dioxide emissions through conversion technologies”, Chemical Engineering Research and Design, 116, (2016): 27-47
• Seyed Soheil Mansouri, Mauricio Sales-Cruz, Jakob Kjøbsted Huusom, R Gani. “Systematic integrated process design and control of reactive distillation processes involving multi-elements”, Chemical Engineering Research and Design, 115, (2016): 348-364
• Amata Anantpinijwatna, Mauricio Sales-Cruz, Sun Hyung Kim, John P. O’Connell, R Gani. “A systematic modelling framework for phase transfer catalyst systems”, Chemical Engineering Research and Design, 115, Part B, (2016): 407-422
• Emmanouil Papadakis, Anjan K. Tula, R Gani. “Solvent selection methodology for pharmaceutical processes: Solvent swap”, Chemical Engineering Research and Design, 115, Part B, (2016): 443-461
• Ka Y. Fung, Ka M. Ng, Lei Zhang, R Gani. “A grand model for chemical product design”, Computers & Chemical Engineering, 91 (4), (2016): 15-27
• Kosan Roh, Rebecca Frauzem, Tuan B.H. Nguyen, R Gani, Jay H. Lee. “A methodology for the sustainable design and implementation strategy of CO2 utilization processes”, Computers & Chemical Engineering, 91 (2016) :407-421
• SS Mansouri, JK 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
• Lei Zhang, Deenesh K Babi, R Gani. “New vistas in chemical product-process design”, Annual Review of Chemical and Biomolecular Engineering, 7, (2016): 557-582
• Amata Anantpinijwatna. “Generic model-based tailor-made design and analysis of biphasic reacting systems.” PhD-thesis, Technical University of Denmark, Lyngby, Denmark. (2016).
• Sawitree Kalakul. “Property Model-based Tailor-made Design of Chemical-based Products.” PhD-thesis, Technical University of Denmark, Lyngby, Denmark. (2016).
• Pichayapan Kongpanna, Deenesh K. Babi, Varong Pavarajarn, Suttichai Assabumrungrat, R Gani. “Systematic methods and tools for design of sustainable chemical processes for CO2 utilization”, Computers & Chemical Engineering, 87(6), (2016): 125-144
• Sun Hyung Kim, Amata Anantpinijwatna, Jeong Won Kang, R Gani. “Analysis and modeling of alkali halide aqueous solutions”, Fluid Phase Equilibria, 412 (25), (2016): 177-198
• Kusuma Kulajanpeng, Uthaiporn Suriyapraphadilok, R. Gani. “Systematic screening methodology and energy efficient design of ionic liquid-based separation processes”, Journal of Cleaner Production, 111 (Part A), (2016): 93-107
• Natthapong Sueviriyapan, Uthaiporn Suriyapraphadilok, Kitipat Siemanond, Alberto Quaglia, R Gani. “Industrial wastewater treatment network based on recycling and rerouting strategies for retrofit design schemes”, Journal of Cleaner Production, 111 (Part A), (2016): 231-252
• Nimir Elbashir, Saad Intikhab, Sawitree Kalakul, Hanif Ahmed Choudhury, and R Gani. “Experimental Investigation on Gasoline and Diesel Fuels Surrogates Designed Via Computation and Property Integration Methods.” In Qatar Foundation Annual Research Conference Proceedings, 2016 (1), EESP2689. Qatar: HBKU Press, 2016.
• Amata Anantpinijwatna, Sun H. Kim, Mauricio Sales-Cruz, John P. O’Connell, and R Gani. “Application of the e-KT-UNIFAC Model for the Improved and Innovative Design of Biphasic Reacting Systems.” Journal of Chemical & Engineering Data, 61(12), (2016): 4090–4103

Selected Older Publications

Modelling

• 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
• Amol Hukkerikar, Sawitree Kalakul, Bent Sarup, Douglas M. Young, Gürkan Sin, R Gani. “Estimation of environment-related properties of chemicals for design of sustainable processes: Development of group-contribution+ (GC+) models and uncertainty analysis”, Journal of Chemical Information and Modeling, 52(11), (2012): 2823-2839
• Amol Shivajirao Hukkerikar, Bent Sarup, Antoon Ten Kate, Jens Abildskov, Gürkan 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
• Romain Privat, Elisa Conte, Jean-Noël Jaubert, R Gani. “Are safe results obtained when SAFT equations are applied to ordinary chemicals? Part 2: study of solid-liquid equilibria in binary systems”, Fluid Phase Equilibria, 318, (2012): 61-76
• R Gani, P. M. Harper and M. Hostrup. “Automatic Creation of Missing Groups through Connectivity Index for Pure Component Property Prediction”, Industrial and Engineering Chemistry Research, 44, (2005): 7262-7269
• J. Marrero, R Gani. “Group Contribution Based Estimation of Pure Component Properties”, Fluid Phase Equilibra, 183-184, (2001): 183-208

Process synthesis-design

• Anjan Kumar Tula, Mario R Eden, R Gani. “Process synthesis, design and analysis using a process-group contribution method”, Computers & Chemical Engineering, 81, (2015): 245-259
• Alberto Quaglia, Alessandra Pennati, Milos Bogataj, Zdravko Kravanja, Gürkan Sin, R Gani. “Industrial process water treatment and reuse: A framework for synthesis and design” Industrial & Engineering Chemistry Research, 53, (2014): 5160−5171
• Zhihong Yuan, Bingzhen Chen, R Gani. “Applications of process synthesis: Moving from conventional chemical processes towards biorefinery processes”, Computers & Chemical Engineering, 49, (2013): 217-229
• R Gani, E. Bek-Pedersen. “A Simple New Algorithm for Distillation Column Design”, AIChE Journal, 46 (6), (2001): 1271-1274

Product synthesis-design

• E Conte, R Gani and K. M. Ng. “Design of formulated products: a systematic methodology”, AIChE Journal, 57(9), (2011): 2431-2449
• 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
• R Gani. “Chemical Product Design: Challenges & Opportunities”, Computers & Chemical Engineering, 28, (2004): 2441-2457
• M.R. Eden, S.B. Jørgensen, R Gani, M. El-Halwagi. “A novel framework for simultaneous separation process and product design”, Chemical Engineering & Processing, 43, (2004): 595-608

Integration & Sustainability

• Zhihong Yuan, Mario 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
• Deenesh K. Babi, Johannes Holtbruegge, Philip Lutze, Andrzej Gorak, John M. Woodley, R Gani. “Sustainable process synthesis–intensification”, Computers & Chemical Engineering, 81, (2015): 218-244
• Sawitree Kalakul, Pomthong Malakul, Kitipat 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
• Ana Carvalho, Henrique 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
• Zhihong Yuan, Bingzhen Chen, Gürkan Sin, R Gani. “State-of-the-art and progress in the optimization based simultaneous design and control for chemical processes”, AIChE Journal, 58(6), (2012): 1640-1659
• R. Singh, K. V. Gernaey, R Gani. “Model-based computer-aided framework for design of process monitoring and analysis systems”, Computers & Chemical Engineering, 33(1), (2009): 22-42