Isotherm modeling and techno-economic analysis of a TSA moving bed process using a tetraamine-appended MOF for NGCC applications

•Isotherm and process modeling of a new tetraamine-appended Metal-Organic Framework (MOF) for NGCC capture using moving bed contactors were developed.•The isotherm model fitted the experimental adsorption data well with a root mean squared error (RMSE) of 0.41 mol/kg.•Techno-economic optimizations show that moving bed carbon capture systems with MOFs can be a viable option to traditional MEA solvent-based processes for NGCC plants.•Heat recovery of at least 40% is required to make the TSA moving bed process competitive in terms of cost of CO2 capture. Tetraamine-appended metal-organic frameworks (MOF) are a new family of amine-functionalized MOF materials that show potential for CO2 capture from flue gas conditions relevant to natural gas combined cycle (NGCC) power plants. This work presents isotherm modeling of the tetraamine-appended MOF Mg2(dobpdc)(3-4-3)(dobpdc4−=4,4′-dioxidobiphenyl-3,3′dicarboxylate;3-4-3=N,N′bis(3-aminopropyl)-1,4-diaminobutane), process modeling, scale up, and a techno-economic optimization of a moving bed Temperature Swing Adsorption (TSA) process for carbon capture using this sorbent. This MOF exhibits a unique two-step CO2 adsorption profile in three different pressure ranges. Thus, arctangent-based logistic functions and, quadratic and Langmuir models were employed to represent such isotherm behavior. The results of the isotherm model show good fitting vs the experimental data with an RMSE of 0.41. To model the carbon capture process, the isotherm model was embedded into a moving bed contactor model, and this was used to simulate a TSA CO2 capture cycle and evaluate cost-optimal designs considering flue gas from a -650 MWe NGCC power plant. The capital cost model consists of CAPEX correlations for reactors, compressors, ducting, etc., while the operating costs include steam, water, chemicals, and electricity (following NETL's quality guidelines for energy systems studies). A techno-economic optimization of the capture system was performed by using NETL's Framework for the Optimization and Quantification of Uncertainty and Surrogates tool (FOQUS). Results suggest that a moving bed carbon capture system with tetraamine-appended MOF can be competitive compared to conventional MEA solvent-based capture processes for NGCC plants, when a heat recovery efficiency of at least 40% is achieved, and MOF materials can be produced at a cost below -$9/kg.