Molecular engineering of sustainable phase-change solvents: From digital design to scaling-up for CO2 capture

Παπαδόπουλος, Αθανάσιος Ι.; Perdomo, Felipe A.; Tzirakis, Fragkiskos; Shavalieva, Gulnara; Tsivintzelis, Ioannis; Kazepidis, Panagiotis; Nessi, Evie; Papadokonstantakis, Stavros; Seferlis, Panos; Galindo, Amparo; Jackson, George; Adjiman, Claire S.

doi:10.1016/j.cej.2020.127624

Cited by 21 publications

(17 citation statements)

References 74 publications

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“…Phase change solvents are mixtures that under certain thermodynamic conditions can undergo reversible phase separation forming two distinct liquid phases of different concentrations. When such mixtures are used in CO 2 capture, the resulting two phases, namely an organic and an aqueous one, or a solvent rich and a solvent lean, respectively, can be mechanically separated resulting in significantly reduced thermal regeneration costs due to the avoidance of water vaporization [72]. A phase change solvent can comprise one base component (e.g., aqueous solution of an amine) or a mixture of components (e.g., amine blend).…”

Section: Phase Change Solventsmentioning

confidence: 99%

Solvents for Membrane-Based Post-Combustion CO2 Capture for Potential Application in the Marine Environment

et al. 2022

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Carbon capture on-board ships represents a powerful technological measure in order for the shipping industry to meet the very stringent GHG emission reduction requirements. Operation within the ship environment introduces a number of constraints associated mainly with space, energy supply, and safety which have to be addressed using compact yet efficient solutions. To this end, solvent-based membrane CO2 capture offers several advantages and has the necessary technological maturity for on-board installation. Solvent choice remains a critical issue both for reasons associated with process efficiency as well as on-board safety. In this paper, we present an up-to-date comprehensive review of the different solvents that can be used for post-combustion CO2 capture. Furthermore, we investigated the solvents’ performance as determined by their inherent characteristics, properties, and behavior for a range of operating conditions against the strict shipping requirements. A preliminary qualitative comparative assessment was carried out based on appropriately selected key performance indicators (KPIs) pertinent to the requirements of the shipping industry. The identified solvent classes were compared using the most critical KPIs for system integration with the ship. It was concluded that at present, no solvent category can efficiently address all the requirements of the ship. However, widely used solvents such as secondary amines showed relatively good compatibility with the majority of the introduced KPIs. On the other hand, more recently developed molecules, such as phase change solvents and ionic liquids, can easily prevail over the vast majority of the identified solvents as long as they are brought to the same level of technological maturity with benchmark solvents. Such a conclusion points toward the need for accelerating research on more tailor-made and performance-targeted solvents.

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Section: Phase Change Solventsmentioning

confidence: 99%

Solvents for Membrane-Based Post-Combustion CO2 Capture for Potential Application in the Marine Environment

et al. 2022

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“…Although neglecting the process during solvent selection can cause suboptimal choices, the evaluation of performance indicators such as phase distribution coefficients [12][13][14][15][16][17] is oen used to estimate downstream process efficiency and, in some cases, also validated in rigorous simulations or experiments. 18,19 Such performance indicators have been used to evaluate a large number of molecules using thermodynamic property predictions calculated with COSMO-RS. 20 An overview of performance evaluation for predicted molecular properties is given in Gertig et al 21 They differentiate between evaluation with simple performance indicators, in silico assessment inside a process simulation, and additional process optimization.…”

Section: Computer-aided Solvent Screeningmentioning

confidence: 99%

Optimally designed solvent system for lignocellulosic biomass conversion supported by property predictions

Karacasulu

Echtermeyer

Kabatnik

et al. 2022

Sustainable Energy Fuels

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“…Examples of solvents with phase change behaviour are N,N-dimethylcyclohexylamine (DMCA), methylcyclohexylamine (MCA) and 2-amino-2-methyl-1-propanol (AMP) (Tzirakis et al 2019), or mixtures such as MAPA/DEEA (3-(methylamino)propylamine/2-(diethylamino)ethanol). The computer-aided molecular design allows the screening and proposal of novel solvents suitable for CO 2 absorption (Papadopoulos et al 2020a). A novel very promising solvent proposed by computer-aided molecular design is the S1N (N1-cyclohexylpropane-1,3-diamine), for which laboratory experiments corroborate its suitability when mixed with other alkanolamines, e.g.…”

Section: Alternative Aqueous Alkanolamines To Meamentioning

confidence: 99%

Investigating best available technique for CO2 chemical absorption: solvent selection based on empirical surrogate model and exergy loss

Popescu

González

Llorens

et al. 2021

Clean Techn Environ Policy

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The carbon dioxide concentration in the atmosphere has reached extremely high levels, generating environmental concerns. Unfortunately, despite the climate change, CO2 is not included nowadays as a key environmental issue in Best Available Technique (BAT) reference documents (BREF). Industrially, the widespread industrial technology to capture CO2 is the chemical absorption using aqueous monoethanolamine (MEA) at 30%wt, which is the basis of comparison for novel alternative techniques in the literature and seems a suitable candidate to be proposed as Best Available Technique. Nevertheless, there is an intense research to find alternative solvents that decrease the energy consumption for carbon capture and many solvents are claimed in the literature to outperform MEA. A novel empirical surrogate model and exergy balances are used to confirm that MEA is still the best candidate to be proposed as Best Available Technique. The surrogate model proposed in this study properly regresses the CO2 gas liquid equilibrium data. The regressed parameters of the model are tabulated in this study for many aqueous alkanolamines and their mixtures, being the basis for computationally inexpensive chemical absorption column design. The surrogate model parameter considering the temperature is related with the chemical absorption energy and the consumed energy for solvent recovery. The obtained results show that none of the considered alkanolamine outperforms MEA in all the considered aspects, i.e. energy and solvent flowrate. MEA minimum flowrate is 15.62 mol solvent/mol gas and its heat of absorption regression parameter is − 27,745 J/mol. The proposed mathematical method is useful as a fast assessment for other novel alternatives that will be proposed in the future, providing energetically more efficient and cleaner technologies for CO2 capture. Graphic abstract

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Molecular engineering of sustainable phase-change solvents: From digital design to scaling-up for CO2 capture

Cited by 21 publications

References 74 publications

Solvents for Membrane-Based Post-Combustion CO2 Capture for Potential Application in the Marine Environment

Solvents for Membrane-Based Post-Combustion CO2 Capture for Potential Application in the Marine Environment

Optimally designed solvent system for lignocellulosic biomass conversion supported by property predictions

Investigating best available technique for CO2 chemical absorption: solvent selection based on empirical surrogate model and exergy loss

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