All ABET-accredited engineering programs mandate a culminating major design experience based on knowledge and skills acquired in earlier course work and incorporating realistic appropriate engineering standards and multiple realistic constraints. Some chemical companies organize their Manufacturing Innovation Process into a sequence of stages which typically include Need Identification, Product Design, Basic and Detailed Chemistry, Process Design, Equipment Design, Plant Design, Detailed Engineering and Vendor Specifications, Component Acquisition, Plant Construction Planning and Execution, Operating Procedure Development, Plant Commissioning and Start-up, and Production Planning, Scheduling, and Operation. Each of these stages involve the solution of many "design" problems that could be the subject of the culminating undergraduate chemical engineering design experience... (ABSTRACT ABBREVIATED)

Equation-oriented (EO) modeling has the potential to enable the effective design and optimization of the operation of advanced energy systems. However, advanced modeling of energy systems results in a large number of variables and non-linear equations, and it can be difficult to search through these to identify the culprit(s) responsible for convergence issues. The Institute for the Design of Advanced Energy Systems Integrated Platform (IDAES-IP) contains a tool to identify poorly scaled constraints and variables by searching for rows and columns of the Jacobian matrix with small L2-norms so they can be rescaled. A further singular value decomposition can be performed to identify degenerate sets of equations and remaining scaling issues. This work presents an EO model of a flowsheet developed for post-combustion carbon capture using a monoethanolamine (MEA) solvent system as a case study. The IDAES diagnostics tools were successfully applied to this flowsheet to identify problems to im... [more]

The overarching goal of limiting the increase in global temperature to = 2.0° C likely requires both decarbonization and defossilization efforts. Direct air capture (DAC) and CO2 electrolysis stand out as promising technologies for capturing and utilizing atmospheric CO2. In this effort, we explore the details of designing and operating an integrated DAC-electrolysis process by examining some key parameters for economic feasibility. We evaluate the gross profit and net income to find the most appropriate capacity factor, average electricity price, syngas sale price, and CO2 taxes. Additionally, we study an optimistic scenario of CO2 electrolysis and perform a sensitivity analysis of the CO2 capture price to elucidate the impact of design decisions on the economic feasibility. Our findings underscore the necessity of design improvements of the CO2 electrolysis and DAC processes to achieve reasonable capacity factor and average electricity price limits. Notably, CO2 taxes and tax credits... [more]

Solvent-based carbon capture processes typically suffer from the temperature rise of the solvent due to the heat of absorption of CO2. This increased temperature is not thermodynamically favorable and results in a significant reduction in performance in the absorber column. As opposed to interstage coolers, which only remove, cool, and return the solvent at discrete locations in the column, internal coolers that are integrated with the packing can cool the process inline, which can result in improved efficiency. This work presents the modeling of these internal coolers within an existing generic, equation-oriented absorber column model that can cool the process while allowing for simultaneous mass transfer. Optimization of this model is also performed, which is capable of optimally choosing the best locations to place these devices, such that heat removal and mass transfer area are balanced. Results of the optimization have shown that optimally placed cooling elements result in a signi... [more]

Although global efforts for CO2 capture are underway, large-scale CO2 capture projects still face economic risks and technical challenges. The Rotating Packed Bed (RPB) provides an alternative solution by mitigating location constraints and enabling a gradual increase in the scale of CO2 capture through compact modular sizes. However, the main challenge in RPB-based CO2 capture processes lies in the limited experience with implementing industrial-scale RPB processes. The intricate relationship between RPB unit design, operating conditions, and process performance further complicates the process-level analysis for scale-up. To address these challenges, we propose an optimization-based process design for RPB-based CO2 capture. Leveraging rigorous process modeling and simulation, we aim to make simultaneous decisions on RPB unit design and operating conditions. Ultimately, our goal is to develop a cost-effective and optimal RPB-based CO2 capture process, supported by comprehensive cost ev... [more]

We present new modifications to superstructure optimization paradigms to i) enable their robust solution and ii) extend their applicability. Superstructure optimization of chemical process flowsheets on the basis of rigorous and detailed models of the various unit operations, such as in the state operator network (SON) paradigm, is prone to non-convergence. A key challenge in this optimization-based approach is that when process units are deselected from a superstructure flowsheet, the constraints that represent the deselected process unit can be numerically singular (e.g., divide by zero, logarithm of zero and rank-deficient Jacobian). In this paper, we build upon the recently-proposed modified state operator network (MSON) that systematically eliminates singularities due to unit deselection and is equally applicable to the context of both simulation-based and equation-oriented optimization. A key drawback of the MSON is that it is only applicable to the design of isobaric flowsheets... [more]

The pursuit of low-energy-consumption CO2 capture technology has promoted the renewal and iteration of absorbents for chemical absorption. In order to evaluate the regeneration energy consumption of absorbents and obtain the distribution of energy consumption, a coupling method combining rigorous energy balance and simple estimation is proposed in this study. The data regarding energy balance and material balance from process simulation are transformed into the model parameters required in the simple estimation model. Regenerative energy consumption and distribution are determined by the empirical estimation formula. Two CO2 capture processes of an MEA aqueous solution and MEA−n-propanol aqueous solution (phase-change absorbent) were used to verify the feasibility and applicability of the coupling method. The effects of n-propanol concentration, CO2 loading in the lean solution, and temperature on energy consumption were discussed. The results show that the energy consumption of 30 wt%... [more]

Nowadays, the environmental challenges associated with plastics are becoming increasingly prominent, making the exploitation of alternatives to landfill disposal a pressing concern. Particularly, polyvinyl chloride (PVC), characterized by its high chlorine content, poses a major environmental risk during degradation. Furthermore, PVC recycling and recovery present considerable challenges. This study aims to optimize the PVC pyrolysis valorization process to produce effective adsorbents for removing contaminants from gaseous effluents, especially CO2. For this purpose, PVC waste was pyrolyzed under varied conditions, and the resulting solid fraction was subjected to a series of chemical and physical activations by means of hydroxides (NaOH and KOH) and nitrogen. Characterization of the PVC-based activated carbons was carried out using surface morphology (SEM), N2 adsorption/desorption, elemental analysis, and FTIR, and their capacity to capture CO2 was assessed. Finally, neuro-fuzzy mod... [more]

The potential of the supercritical antisolvent micronization (SAS) technique was evaluated for the production of CaO-based particles with a size and a physical structure that could enable high performance for CO2 capture through the calcium looping process. Two sources of calcium derivative compounds were tested, waste marble powder (WMP) and dolomite. The SAS micronization of the derivate calcium acetate was carried out at 60 °C, 200 bar, a 0.5 mL min−1 flow rate of liquid solution, and 20 mg mL−1 concentration of solute, producing, with a yield of more than 70%, needle-like particles. Moreover, since dolomite presents with a mixture of calcium and magnesium carbonates, the influence of the magnesium fraction in the SAS micronization was also assessed. The micronized mixtures with lower magnesium content (higher calcium fraction) presented needle-like particles similar to WMP. On the other hand, for the higher magnesium fractions, the micronized material was similar to magnesium aceta... [more]

The traditional electrochemical caustic soda recovery system uses the generated pH gradient across the ion exchange membrane for the regeneration of spent alkaline absorbent from CO2 capture. This electrochemical CO2 capture system releases the by-products H2 and O2 at the cathode and anode, respectively. Although effective for capturing CO2, the slow kinetics of the oxygen evolution reaction (OER) limit the energy efficiency of this technique. Hence, this study proposed and validated a hybrid electrochemical cell based on the H2-cycling from the cathode to the anode to eliminate the reliance on anodic oxygen generation. The results show that our lab-scale prototype enabled effective spent caustic soda recovery with an electron utilisation efficiency of 90%, and a relative carbonate/bicarbonate diffusional flux of approximately 40%. The system also enabled the regeneration of spent alkaline absorbent with a minimum electrochemical energy input of 0.19 kWh/kg CO2 at a CO2 recovery rate... [more]

The overarching goal of limiting the increase in global temperature to ≤ 2.0˚ C likely requires both decarbonization and defossilization efforts. Direct air capture (DAC) and CO2 electrolysis stand out as promising technologies for capturing and utilizing atmospheric CO2. In this effort, we explore the details of designing and operating an integrated DAC-electrolysis process by examining some key parameters for economic feasibility. We evaluate the gross profit and net income to find the most appropriate capacity factor, average electricity price, syngas sale price, and CO2 taxes. Additionally, we study an optimistic scenario of CO2 electrolysis and perform a sensitivity analysis of the CO2 capture price to elucidate the impact of design decisions on the economic feasibility. Our findings underscore the necessity of design improvements of the CO2 electrolysis and DAC processes to achieve reasonable capacity factor and average electricity price limits. Notably, CO2 taxes and tax credits... [more]

Coal gasification is recognized as the core technology of clean coal utilization that exhibits significant advantages in hydrogen-rich syngas production and CO2 emission reduction. This review briefly discusses the recent research progress on various coal gasification techniques, including conventional coal gasification (fixed bed, fluidized bed, and entrained bed gasification) and relatively new coal gasification (supercritical water gasification, plasma gasification, chemical-looping gasification, and decoupling gasification) in terms of their gasifiers, process parameters (such as coal type, temperature, pressure, gasification agents, catalysts, etc.), advantages, and challenges. The capacity and potential of hydrogen production through different coal gasification technologies are also systematically analyzed. In this regard, the decoupling gasification technology based on pyrolysis, coal char−CO2 gasification, and CO shift reaction shows remarkable features in improving comprehensi... [more]

Amine solvent has attracted much attention due to its high CO2 capture level and wide application range, but its high energy consumption for recycling restricts its large-scale commercialization. In this work, a multi-objective optimization technology based on the group contribution method was used to select potential amine solvents for CO2 capture. This computer-aided molecular design method considers the thermodynamic and kinetic properties of the candidate solvent and evaluates the influence of relevant parameters on solvent performance. Compared with previous experimental methods used to optimize solvent, this method selects potential solvents from a large number of solvent databases based on group contribution. Firstly, a corresponding classification database was established for various kinds of amine solvents. Then, the traditional experiments were used to verify and screen solvents. At the same time, the method was applied to 31 amine absorbents concerning solubility, molar volu... [more]

Biorefineries have been defined as complex systems where biomass is integrally processed to obtain value-added products and energy vectors, involving recent research advances, technological trends, and sustainable practices. These facilities are evolving since new pathways and challenges for biomass upgrading appear constantly aimed at increasing process sustainability. Nevertheless, few literature papers summarize how these new trends can improve biorefinery sustainability and boost the transition to renewable resources. This paper reviews several challenges and future perspectives before biorefinery implementation at the industrial level. Challenges related to waste stream valorization, multifeedstock use, biorefinery energy matrix diversification, and new products based on new biomass conversion pathways are reviewed. Thus, this paper provides an overview of the most recent trends and perspectives for improving biorefinery sustainability based on waste stream minimization, integral... [more]

The Czech Republic is introducing new technological concepts for mitigation of greenhouse gases (GHG) in coal-based energy industries. One such technology, in power plants, is post combustion CO2 capture from flue gases by activated carbon adsorption. A life cycle assessment (LCA) was used as the assessment tool to determine the environmental impacts of the chosen technology. This article focuses on a comparative LCA case study on the technology of temperature-swing adsorption of CO2 from power plant flue gases, designed for the conditions of the Czech Republic. The LCA study compares the following two alternatives: (1) a reference power unit and (2) a reference power unit with CO2 adsorption. The most significant changes are observed in the categories of climate change potential, terrestrial acidification, and particulate matter formation. The adsorption process shows rather low environmental impacts, however, the extended LCA approach shows an increase in energy demands for the proce... [more]

The reduction of fossil CO2 emissions from key relevant industrial processes represents an important environmental challenge to be considered. To enable large-scale deployment of low carbon technologies, a significant research and development effort is required to optimize the CO2 capture systems. This work assesses various hybrid solvent-membrane configurations for post-combustion decarbonization of coal-based super-critical power plants. As an illustrative chemical solvent, Methyl-Di-Ethanol-Amine was assessed. Various membrane unit locations were assessed (e.g., top absorber, before absorber using either compressor or vacuum pump). All investigated designs have a 1000 MW net power output with a 90% decarbonization ratio. Benchmark concepts with and without carbon capture using either reactive gas-liquid absorption or membrane separation technology were also evaluated to have a comparative assessment. Relevant evaluation tools (e.g., modeling, simulation, validation, thermal integrat... [more]

The effect of cyclic carbonation−decarbonation operating parameters on Zr-doped CaO sorbent CO2 uptake capacity evolution is examined. It is revealed that the capacity steady state value increases with the decrease in the carbonation temperature, CO2 concentration in the gas flow upon carbonation and with the increase in the heating rate from the carbonation to the decarbonation stages. The rise in decarbonation temperature leads to a dramatic decrease in the sorbent performance. It is found that if carbonation occurs at 630 °C in the gas flow containing 15 vol.% CO2 and decarbonation is carried out at 742 °C, the sorbent shows the highest values of the initial and steady state CO2 uptake capacity, namely, 10.7 mmol/g and 9.4 mmol/g, respectively.

The problem of reducing carbon dioxide emissions from flue gas, particularly from flue gas originating from coal-firing CFB systems, is currently an important challenge. Many centers around the world have tested post-combustion CO2 capture systems. One of these systems, operated using DR-VPSA adsorption technology (dual-reflux vacuum pressure swing adsorption), was tested under the Strategic Project in Poland. The flue gas in this study originated from a supercritical CFB boiler (460 MWe). An important problem involved in capturing CO2 from flue gas is the occurrence of SO2 and NOx. These substances have a negative effect on the CO2 adsorption process. In this study, commercial impregnated activated carbon was used to remove SO2 and NOx from CFB flue gas in the pre-treatment section during the tests of a pilot CO2 capture unit in a large-scale CFB boiler at the Lagisza Power Plant (Poland). The spent activated carbon was analyzed using several different methods (N2 adsorption−desorptio... [more]

Natural gas is considered a helpful transition fuel in order to reduce the greenhouse gas emissions of other conventional power plants burning coal or liquid fossil fuels. Natural Gas Hydrates (NGHs) constitute the largest reservoir of natural gas in the world. Methane contained within the crystalline structure can be replaced by carbon dioxide to enhance gas recovery from hydrates. This technical review presents a techno-economic analysis of the full pathway, which begins with the capture of CO2 from power and process industries and ends with its transportation to a geological sequestration site consisting of clathrate hydrates. Since extracted methane is still rich in CO2, on-site separation is required. Focus is thus placed on membrane-based gas separation technologies widely used for gas purification and CO2 removal from raw natural gas and exhaust gas. Nevertheless, the other carbon capture processes (i.e., oxy-fuel combustion, pre-combustion and post-combustion) are briefly discu... [more]

The efficient and clean use of fuel is very important for the sustainable development of energy. In this article, a numerical study of molten carbonate fuel cell (MCFC) unit is carried out, and the source, distribution, and extent of six irreversible losses (fluid friction loss, mass transfer loss, ohmic loss, activation loss, heat transfer loss, the coupling loss between heat and mass transfer) are described and quantified. The effects of the operation temperature, current density, CO2 concentration, and cathode CO2 utilization rate on the exergy destruction and exergy efficiency during the power generation process are investigated. The results show that the main source of entropy generation in MCFC is the potential difference, which affects the ohmic and activation entropy generation, especially when the CO2 concentration is very low. The second is the temperature gradient, which causes the entropy production of the heat transfer. With the rise of the CO2 concentration at the cathode... [more]

The implementation of carbon capture, use, and storage in the cement industry is a necessity, not an option, if the climate targets are to be met. Although no capture technology has reached commercial scale demonstration in the cement sector yet, much progress has been made in the last decade. This work intends to provide a general overview of the CO2 capture technologies that have been evaluated so far in the cement industry at the pilot scale, and also about the current plans for future commercial demonstration.

This work focused on the application of a microchannel contactor for CO2 capture using water as absorbent, especially for the application of CO2-rich gas. The influence of operating conditions (temperature, volumetric flow rate of gas and liquid, and CO2 concentration) on the absorption efficiency and the overall liquid-side volumetric mass transfer coefficient was presented in terms of the main effects and interactions based on the factorial design of experiments. It was found that 70.9% of CO2 capture was achieved under the operating conditions as follows; temperature of 50 °C, CO2 inlet fraction of 53.7%, total gas volumetric flow rate of 150 mL min−1, and adsorbent volumetric flow rate of 1 mL min−1. Outstanding performance of CO2 capture was demonstrated with the overall liquid-side volumetric mass transfer coefficient of 0.26 s−1. Further enhancing the system by using 2.2 M of monoethanolamine in water (1:1 molar ratio of MEA-to-CO2) boosted the absorption efficiency up to 88%.

The Czech Republic is gradually shifting toward a low-carbon economy. The transition process requires measures that will help to contain energy production and help to reduce emissions from the coal industry. Viable measures are seen in carbon capture technologies (CCTs). The main focus is on the environmental and economic comparison of two innovative CCTs that are integrated in the operational Czech energy units. The assessed scenarios are (1) the scenario of pre-combustion CO2 capture integrated into the gasification combined cycle (IGCC-CaL) and (2) the scenario of post-combustion capture by adsorption of CO2 by activated carbon (PCC-A). An environmental assessment is performed through a life-cycle assessment method and compares the systems in the phase of characterization, normalization, and relative contribution of the processes to the environmental categories. Economic assessment compares CCT via capture and avoided costs of CO2 and their correlation with CO2 allowance market tren... [more]

We fabricated the Zr-doped CaO sorbent for high-temperature CO2 capture by the wet high-energy co-milling of calcium carbonate and natural zirconium dioxide (baddeleyite) for the first time. The morphology of the material was examined by scanning electron microscopy, energy-dispersive X-ray analysis and X-ray diffraction. Its CO2 uptake capacity was determined using thermogravimetric analysis. After 50 carbonation−calcination cycles, the Zr-doped CaO sorbent characterized by a high enough CO2 uptake capacity of 8.6 mmol/g and unchanged microstructure due to CaZrO3 nanoparticles uniformly distributed in the CaO matrix to prevent CaCO3 sintering under carbonation. The proposed easy-to-implement CaO-based sorbents fabrication technique is promising for industrial application.

In this work, CO2 conditioning processes for ship-based CCS sequestration are modelled using the software APSEN HYSYS V11. This study uses the captured CO2 gas from the 3D project as the feed. The feed stream contains water, H2S, and CO as contaminants. The purification processes for dehydration, desulfurization, and CO removal are reviewed. Two liquefaction approaches, the open-cycle and the closed-cycle liquefaction, are modelled and compared for transport pressures 7 and 15 bar. It is found that the energy requirement of the open-cycle process is higher than that of the closed-cycle liquefaction process. For the closed-cycle design, two refrigerants, ammonia and propane, are considered. Results show that the energy requirement of the process using ammonia is lower than that of propane. When comparing the two transport pressures, it is found that liquefaction at 15 bar requires less energy than 7 bar. On top of that, both refrigerants are unsuited for the liquefaction of CO2 at 7 bar... [more]