(132c) Material Selection in Process Intensification: Application to Extractive Separation Systems
AIChE Spring Meeting and Global Congress on Process Safety
2020
2020 Virtual Spring Meeting and 16th GCPS
Process Intensification
Initiatives in Process Intensification and Modular Chemical Processing
Tuesday, August 18, 2020 - 11:24am to 11:36am
Extractive separation, a classic process intensification system, offers the solution to overcome the physical equilibrium at azeotropic point by introducing an extra mass separating agent (i.e., entrainer) [1-2]. The material selected plays a key role due to: (i) its solubility properties to enhance the system’s mass transfer driving force to drive separation, and (ii) its hazardous properties (e.g., toxicity, flammability) for environmental and safety considerations. Despite recent advances in the synthesis of process intensification systems leveraging phenomenological representation methods to deliver potentially “out-of-the-box†process solutions [3-5], the role of (advanced) materials in process synthesis/intensification has not been sufficiently addressed in open literature [6].
In this work, we propose a systematic approach for material selection, process synthesis, integration, and intensification based on recent extensions of the phenomena-based Generalized Modular Representation Framework (GMF) [7-8]. Herein, processes are represented as aggregated multifunctional mass/heat exchange modules with which intensification possibilities can be discovered without a pre-postulation of equipment or flowsheet configurations. Driving force constraints, derived from total Gibbs free energy change, are employed to characterize mass/heat transfer feasibility by exploiting the general thermodynamic space, and thus result in a more compact modular representation of the chemical systems. Material selection is achieved by incorporating rigorous thermodynamic models (e.g., NRTL) in GMF representation to capture the nonideal liquid mixture properties as well as to assess material performance to facilitate separation. Mass and/or heat integration are also systematically integrated in the superstructure formulation of the modular network to reduce energy consumption, resource utilization, and waste production. The resulting synthesis problem is formulated as a mixed integer nonlinear programming optimization problem (MINLP), where material selection, process synthesis, integration, and intensification can be simultaneously accounted for with respect to process profitability. An extensive case study concerning enthanol/water extractive separation is presented to showcase the proposed approach, with two entrainer candidates examined: a conventional entrainer ethylene glycol (EG) and an ionic liquid entrainer 1-ethyl-3-methyl-imidazolium acetate ([EMIM][OAc]). Extensions of the framework to include process safety and environmental considerations will also be discussed [8]. 1. Tian, Y., Demirel, S. E., Hasan, M. M. F., & Pistikopoulos, E. N (2018). An Overview of Process Systems Engineering Approaches for Process Intensification: State of the Art. Chemical Engineering and Processing: Process Intensification, 133, 160-210. 2. Zhou, T., Song, Z., Zhang, X., Gani, R., & Sundmacher, K. (2019). Optimal Solvent Design for Extractive Distillation Processes: A Multi-objective Optimization based Hierarchical Framework. Industrial & Engineering Chemistry Research. 3. Demirel, S. E., Li, J., & Hasan, M. F. (2017). Systematic process intensification using building blocks. Computers & Chemical Engineering, 105, 2-38. 4. da Cruz, F. E., & Manousiouthakis, V. I. (2016). Process intensification of reactive separator networks through the IDEAS conceptual framework. Computers & Chemical Engineering, 105, 39-55. 5. Tula, A. K., Babi, D. K., Bottlaender, J., Eden, M. R., & Gani, R. (2017). A computer-aided software-tool for sustainable process synthesis-intensification. Computers & Chemical Engineering, 105, 74-95. 6. Stankiewicz, A., & Yan, P. (2019). 110th Anniversary: The Missing Link Unearthed: Materials and Process Intensification. Industrial & Engineering Chemistry Research. 7. Papalexandri, K. P., & Pistikopoulos, E. N. (1996). Generalized modular representation framework for process synthesis. AIChE Journal, 42(4), 1010-1032. 8. Tian, Y., & Pistikopoulos, E. N. (2018). Synthesis of Operable Process Intensification Systems — Steady-State Design with Safety and Operability Considerations. Industrial & Engineering Chemistry Research, 58(15), 6049-6068.
In this work, we propose a systematic approach for material selection, process synthesis, integration, and intensification based on recent extensions of the phenomena-based Generalized Modular Representation Framework (GMF) [7-8]. Herein, processes are represented as aggregated multifunctional mass/heat exchange modules with which intensification possibilities can be discovered without a pre-postulation of equipment or flowsheet configurations. Driving force constraints, derived from total Gibbs free energy change, are employed to characterize mass/heat transfer feasibility by exploiting the general thermodynamic space, and thus result in a more compact modular representation of the chemical systems. Material selection is achieved by incorporating rigorous thermodynamic models (e.g., NRTL) in GMF representation to capture the nonideal liquid mixture properties as well as to assess material performance to facilitate separation. Mass and/or heat integration are also systematically integrated in the superstructure formulation of the modular network to reduce energy consumption, resource utilization, and waste production. The resulting synthesis problem is formulated as a mixed integer nonlinear programming optimization problem (MINLP), where material selection, process synthesis, integration, and intensification can be simultaneously accounted for with respect to process profitability. An extensive case study concerning enthanol/water extractive separation is presented to showcase the proposed approach, with two entrainer candidates examined: a conventional entrainer ethylene glycol (EG) and an ionic liquid entrainer 1-ethyl-3-methyl-imidazolium acetate ([EMIM][OAc]). Extensions of the framework to include process safety and environmental considerations will also be discussed [8]. 1. Tian, Y., Demirel, S. E., Hasan, M. M. F., & Pistikopoulos, E. N (2018). An Overview of Process Systems Engineering Approaches for Process Intensification: State of the Art. Chemical Engineering and Processing: Process Intensification, 133, 160-210. 2. Zhou, T., Song, Z., Zhang, X., Gani, R., & Sundmacher, K. (2019). Optimal Solvent Design for Extractive Distillation Processes: A Multi-objective Optimization based Hierarchical Framework. Industrial & Engineering Chemistry Research. 3. Demirel, S. E., Li, J., & Hasan, M. F. (2017). Systematic process intensification using building blocks. Computers & Chemical Engineering, 105, 2-38. 4. da Cruz, F. E., & Manousiouthakis, V. I. (2016). Process intensification of reactive separator networks through the IDEAS conceptual framework. Computers & Chemical Engineering, 105, 39-55. 5. Tula, A. K., Babi, D. K., Bottlaender, J., Eden, M. R., & Gani, R. (2017). A computer-aided software-tool for sustainable process synthesis-intensification. Computers & Chemical Engineering, 105, 74-95. 6. Stankiewicz, A., & Yan, P. (2019). 110th Anniversary: The Missing Link Unearthed: Materials and Process Intensification. Industrial & Engineering Chemistry Research. 7. Papalexandri, K. P., & Pistikopoulos, E. N. (1996). Generalized modular representation framework for process synthesis. AIChE Journal, 42(4), 1010-1032. 8. Tian, Y., & Pistikopoulos, E. N. (2018). Synthesis of Operable Process Intensification Systems — Steady-State Design with Safety and Operability Considerations. Industrial & Engineering Chemistry Research, 58(15), 6049-6068.