Download or read book Computational Modeling of Mixed Solids for CO2 CaptureSorbents written by and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Since current technologies for capturing CO2 to fight global climate change are still too energy intensive, there is a critical need for development of new materials that can capture CO2 reversibly with acceptable energy costs. Accordingly, solid sorbents have been proposed to be used for CO2 capture applications through a reversible chemical transformation. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO2 sorbent candidates from the vast array of possible solid materials has been proposed and validated. The calculated thermodynamic properties of different classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO2 adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO2 capture reactions by the solids of interest, we were able to screen only those solid materials for which lower capture energy costs are expected at the desired pressure and temperature conditions. Only those selected CO2 sorbent candidates were further considered for experimental validations. The ab initio thermodynamic technique has the advantage of identifying thermodynamic properties of CO2 capture reactions without any experimental input beyond crystallographic structural information of the solid phases involved. Such methodology not only can be used to search for good candidates from existing database of solid materials, but also can provide some guidelines for synthesis new materials. In this presentation, we apply our screening methodology to mixing solid systems to adjust the turnover temperature to help on developing CO2 capture Technologies.

Download or read book Mixed and Doped Solid Sorbents for CO2 Capture Applications written by and published by . This book was released on 2016 with total page 22 pages. Available in PDF, EPUB and Kindle. Book excerpt: The objectives of this presentation are to capture CO2 we need materials with optimal performance and low costs; establish a theoretical procedure to identify most potential candidates of CO2 solid sorbents from a large solid material databank; computational synthesis new materials to fit industrial needs; and explore the optimal working conditions for the promised CO2 solid sorbents, especially from room to warm T ranges with optimal energy usage.

Download or read book Theoretical Screening of Mixed Solid Sorbent for Applications to CO2 Capture Technology written by and published by . This book was released on 2014 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Since current technologies for capturing CO2 to fight global climate change are still too energy intensive, there is a critical need for development of new materials that can capture CO2 reversibly with acceptable energy costs. Accordingly, solid sorbents have been proposed to be used for CO2 capture applications through a reversible chemical transformation. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO2 sorbent candidates from the vast array of possible solid materials has been proposed and validated. The calculated thermodynamic properties of different classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO2 adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO2 capture reactions by the solids of interest, we were able to screen only those solid materials for which lower capture energy costs are expected at the desired pressure and temperature conditions. Only those selected CO2 sorbent candidates were further considered for experimental validations. The ab initio thermodynamic technique has the advantage of identifying thermodynamic properties of CO2 capture reactions without any experimental input beyond crystallographic structural information of the solid phases involved. Such methodology not only can be used to search for good candidates from existing database of solid materials, but also can provide some guidelines for synthesis new materials. In this presentation, we apply our screening methodology to mixing solid systems to adjust the turnover temperature to help on developing CO2 capture Technologies.

Download or read book Efficient Theoretical Screening of Solid Sorbents for CO2 Capture Applications written by and published by . This book was released on 2011 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Carbon dioxide is a major combustion product of coal, which once released into the air can contribute to global climate change. Current CO2 capture technologies for power generation processes including amine solvents and CaO-based sorbent materials require very energy intensive regeneration steps which result in significantly decreased efficiency. Hence, there is a critical need for new materials that can capture and release CO2 reversibly with acceptable energy costs if CO2 is to be captured and sequestered economically. Inorganic sorbents are one such class of materials which typically capture CO2 through the reversible formation of carbonates. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO2 sorbent candidates from the vast array of possible solid materials has been proposed and validated. The ab initio thermodynamic technique has the advantage of identifying thermodynamic properties of CO2 capture reactions without any experimental input beyond crystallographic structural information of the solid phases involved. For a given solid, the first step is to attempt to extract thermodynamic properties from thermodynamic databases and available literatures. If the thermodynamic properties of the compound of interest are unknown, an ab initio thermodynamic approach is used to calculate them. These properties expressed conveniently as chemical potentials and heat of reactions, either from databases or from calculations, are further used for computing the thermodynamic reaction equilibrium properties of the CO2 absorption/desorption cycle based on the chemical potential and heat of reaction. Only those solid materials for which lower capture energy costs are predicted at the desired process conditions are selected as CO2 sorbent candidates and further considered for experimental validations. Solid sorbents containing alkali and alkaline earth metals have been reported in several previous studies to be good candidates for CO2 sorbent applications due to their high CO2 absorption capacity at moderate working temperatures. In addition to introducing our selection process in this presentation, we will present our results for solid systems of alkali and alkaline metal oxides, hydroxides and carbonates/bicarbonates to validate our methodology. Additionally, applications of our computational method to mixed solid systems of Li2O and SiO2 with different mixing ratios, we showed that increasing the Li2O/SiO2 ratio in lithium silicates increases their corresponding turnover temperatures for CO2 capture reactions. These theoretical predictions are in good agreement with available experimental findings.

Download or read book Theoretical Screening of Mixed Solid Sorbent for Applications to CO sub 2 Capture Technology written by and published by . This book was released on 2014 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Since current technologies for capturing CO2 to fight global climate change are still too energy intensive, there is a critical need for development of new materials that can capture CO2 reversibly with acceptable energy costs. Accordingly, solid sorbents have been proposed to be used for CO2 capture applications through a reversible chemical transformation. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO2 sorbent candidates from the vast array of possible solid materials has been proposed and validated. The calculated thermodynamic properties of different classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO2 adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO2 capture reactions by the solids of interest, we were able to screen only those solid materials for which lower capture energy costs are expected at the desired pressure and temperature conditions. Only those selected CO2 sorbent candidates were further considered for experimental validations. The ab initio thermodynamic technique has the advantage of identifying thermodynamic properties of CO2 capture reactions without any experimental input beyond crystallographic structural information of the solid phases involved. Such methodology not only can be used to search for good candidates from existing database of solid materials, but also can provide some guidelines for synthesis new materials. In this presentation, we apply our screening methodology to mixing solid systems to adjust the turnover temperature to help on developing CO2 capture Technologies.

Download or read book 28th European Symposium on Computer Aided Process Engineering written by Stefan Radl and published by Elsevier. This book was released on 2018-06-26 with total page 1766 pages. Available in PDF, EPUB and Kindle. Book excerpt: 28th European Symposium on Computer Aided Process Engineering, Volume 43 contains the papers presented at the 28th European Society of Computer-Aided Process Engineering (ESCAPE) event held in Graz, Austria June 10-13 , 2018. It is a valuable resource for chemical engineers, chemical process engineers, researchers in industry and academia, students, and consultants for chemical industries. Presents findings and discussions from the 28th European Society of Computer-Aided Process Engineering (ESCAPE) event

Download or read book Computational Fluid Dynamics Simulation of Carbon Capture Unit Using an Amine based Solid Sorbent written by Farnaz Esmaeili Rad and published by . This book was released on 2021 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Optimization of Solid Sorbent CO2 Capture and Water Usage Reduction in Advanced Power Generation written by Qin Chen and published by . This book was released on 2015 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: Greenhouse gas emissions and water usage are two major concerns in the power generation sector. Advanced clean coal technologies (i.e., solid sorbent CO2 capture technologies and combined wet/dry cooling system) are promising for future central power generation in order to achieve sustainable, secure, and efficient system performance. This dissertation describes research associated with advanced coal derived clean power generation, from near-term pulverized coal (PC) power plant strategies retrofitted for CO 2 capture, to long-term integrated gasification combined cycle (IGCC) power generation, to co-production IGCC with carbon capture and storage (CCS) co-fueled by coal and biomass.In this study, the post-combustion solid sorbent based CO2 capture system for the PC power plant is optimized for integration in order to minimize plant modifications and the associated downtime. Due to significantly less steam usage in sorbent regeneration, the PC plant with advanced solid sorbent CO2 capture has better performance and lower cost of electricity than the plant using conventional amine scrubbing technology. By employing a combined wet/dry cooling system, the PC plant with CO2 capture reduces water usage significantly, while the performance and water usage are a function of ambient conditions as predicted by a mathematical model, the latter of which is validated by experimental data from the literature.Pre-combustion solid sorbent based CO2 capture technologies used in the IGCC are evaluated by systems analysis and compared to Selexol TM CO2 capture. Compared with the SelexolTM approach, solid sorbent CO2 capture results in a power plant with significantly higher overall plant efficiency and more attractive economics.Computational fluid dynamics (CFD) simulation models were developed for both solid sorbent CO2 capture alone, and combined water gas shift (WGS) and solid sorbent CO2 capture in the IGCC applications. ANSYS FLUENT and User Defined Functions (UDF) were the resources adopted to incorporate the fluid mechanics, heat and mass transfer, water vaporization, adsorption equilibrium and kinetics, and WGS reaction kinetics . The CFD models were validated by experimental data, and applied to commercial size fixed bed reactor designs and simulations. It was found that (1) the CO2 breakthrough time or CO2 loading capacity is independent of reactor geometry as long as the space velocity is constant, (2) the adsorption rate is the rate controlling step for CO2 capture using solid sorbent, and (3) break through occurs before the solid sorbent near the exit of the bed is fully utilized due to bulk transfer of the CO2 in the axial direction. However, a low space velocity can increase the loading of the sorbent. The CFD approach also assists in the design of effective thermal management strategies for the reactor in the case of combined WGS and solid sorbent CO 2 capture.Co-feeding of biomass along with coal and the co-production of H 2 and synthetic fuels in IGCCs is evaluated for future clean coal power generation. It was determined by systems analyses that co-feeding and co-production IGCCs are preferable for renewable energy utilization and energy security, with the co-products being produced at competitive costs.

Download or read book Theoretical Screening of Mixed Solid Sorbents for CO sub 2 Capture written by and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: We are establishing a theoretical procedure to identify most potential candidates of CO2 solid sorbents from a large solid material databank to meet the DOE programmatic goal for energy conversion; A further objective is to explore the optimal working conditions for the promised CO2 solid sorbents, especially from room to warm T ranges with optimal energy usage, used for both pre- and post-combustion capture technologies.

Download or read book Theoretical Calculating the Thermodynamic Properties of Solid Sorbents for CO sub 2 Capture Applications written by and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Since current technologies for capturing CO2 to fight global climate change are still too energy intensive, there is a critical need for development of new materials that can capture CO2 reversibly with acceptable energy costs. Accordingly, solid sorbents have been proposed to be used for CO2 capture applications through a reversible chemical transformation. By combining thermodynamic database mining with first principles density functional theory and phonon lattice dynamics calculations, a theoretical screening methodology to identify the most promising CO2 sorbent candidates from the vast array of possible solid materials has been proposed and validated. The calculated thermodynamic properties of different classes of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO2 adsorption/desorption cycles. According to the requirements imposed by the pre- and post- combustion technologies and based on our calculated thermodynamic properties for the CO2 capture reactions by the solids of interest, we were able to screen only those solid materials for which lower capture energy costs are expected at the desired pressure and temperature conditions. Only those selected CO2 sorbent candidates were further considered for experimental validations. The ab initio thermodynamic technique has the advantage of identifying thermodynamic properties of CO2 capture reactions without any experimental input beyond crystallographic structural information of the solid phases involved. Such methodology not only can be used to search for good candidates from existing database of solid materials, but also can provide some guidelines for synthesis new materials. In this presentation, we first introduce our screening methodology and the results on a testing set of solids with known thermodynamic properties to validate our methodology. Then, by applying our computational method to several different kinds of solid systems, we demonstrate that our methodology can predict the useful information to help developing CO2 capture Technologies.

Download or read book Handbook of Climate Change Mitigation written by Wei-Yin Chen and published by Springer. This book was released on 2012-02-13 with total page 2130 pages. Available in PDF, EPUB and Kindle. Book excerpt: There is a mounting consensus that human behavior is changing the global climate and its consequence could be catastrophic. Reducing the 24 billion metric tons of carbon dioxide emissions from stationary and mobile sources is a gigantic task involving both technological challenges and monumental financial and societal costs. The pursuit of sustainable energy resources, environment, and economy has become a complex issue of global scale that affects the daily life of every citizen of the world. The present mitigation activities range from energy conservation, carbon-neutral energy conversions, carbon advanced combustion process that produce no greenhouse gases and that enable carbon capture and sequestion, to other advanced technologies. From its causes and impacts to its solutions, the issues surrounding climate change involve multidisciplinary science and technology. This handbook will provide a single source of this information. The book will be divided into the following sections: Scientific Evidence of Climate Change and Societal Issues, Impacts of Climate Change, Energy Conservation, Alternative Energies, Advanced Combustion, Advanced Technologies, and Education and Outreach.

Download or read book Theoretical Screening of Solid Sorbents for CO sub 2 Capture Applications written by and published by . This book was released on 2013 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The work reported in this presentation was establishing a theoretical procedure to identify most potential candidates of CO2 solid sorbents from a large solid material databank; and to explore the optimal working conditions for the promised CO2 solid sorbents and provide guidelines to the experimentalists. Our methodology can predict thermodynamic properties of solid materials and their CO2 capture reactions. Single solid may not satisfy the industrial operating conditions as CO2 sorbent, however, by mixing two or more solids, the new formed solid may satisfy the industrial needs. By exploring series of lithium silicates with different Li2O/SiO2 ratio, we found that with decreasing Li2O/SiO2 ratio the corresponding silicate has a lower turnover temperature and vice versa. Compared to pure MgO, the Na2CO3, K2CO3 and CaCO3 promoted MgO sorbent has a higher turnover T. These results provide guidelines to synthesize sorbent materials by mixing different solids with different ratio.

Download or read book Computational Modelling for Direct Air Capture of CO2 written by Mit Patel and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atmospheric concentration of CO2 has been increasing at an accelerated pace for past few decades and is shown to have strong correlation with climate change. Push towards renewable energy will not address CO2 already in the atmosphere necessitating so-called carbon negative technologies. Adsorption based direct air capture is a field gaining interest as a negative carbon technology. Adsorption based DAC are attractive towards this end; however, much work remains to identify the appropriate sorbent to selectively remove vanishingly low concentrations of CO2 from the atmosphere. Hence, this problem is ideally suited for computational simulations to determine optimal sorbent. Available open-source chemical process simulators lack the ability to readily simulate the adsorption based direct air capture process train. Commercially available software exist to solve similar problems, but they are prohibitively expensive and often not flexible enough to model novel physisorbent solids. In this work, we propose an open-source computational framework for simulation of direct air capture process using open-source libraries and software such as pyGAPS, FEniCS and DWSIM. We also implement foundational theoretical and computational methods for further integration between those software.

Download or read book Membranes For Gas Separations written by Moises A Carreon and published by World Scientific. This book was released on 2017-08-11 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book aims at illustrating several examples of different membrane compositions ranging from inorganic, polymeric, metallic, metal organic framework, and composite which have been successfully deployed to separate industrially relevant gas mixtures including hydrogen, nitrogen, methane, carbon dioxide, olefins/parafins among others. Each book chapter highlights some of the current and key fundamental and technological challenges for these membranes that must be overcome in order to envision its application at industrial level.

Download or read book Computer Applications for Modeling Simulation and Automobile written by Tai-hoon Kim and published by Springer. This book was released on 2012-11-07 with total page 338 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book comprises the refereed proceedings of the International Conferences, MAS and ASNT 2012, held in conjunction with GST 2012 on Jeju Island, Korea, in November/December 2012. The papers presented were carefully reviewed and selected from numerous submissions and focus on the various aspects of modeling and simulation, and automotive science and technology.

Download or read book Encyclopedia of Renewable Energy Sustainability and the Environment written by and published by Elsevier. This book was released on 2024-08-09 with total page 4061 pages. Available in PDF, EPUB and Kindle. Book excerpt: Encyclopedia of Renewable Energy, Sustainability and the Environment, Four Volume Set comprehensively covers all renewable energy resources, including wind, solar, hydro, biomass, geothermal energy, and nuclear power, to name a few. In addition to covering the breadth of renewable energy resources at a fundamental level, this encyclopedia delves into the utilization and ideal applications of each resource and assesses them from environmental, economic, and policy standpoints. This book will serve as an ideal introduction to any renewable energy source for students, while also allowing them to learn about a topic in more depth and explore related topics, all in a single resource.Instructors, researchers, and industry professionals will also benefit from this comprehensive reference. - Covers all renewable energy technologies in one comprehensive resource - Details renewable energies' processes, from production to utilization in a single encyclopedia - Organizes topics into concise, consistently formatted chapters, perfect for readers who are new to the field - Assesses economic challenges faced to implement each type of renewable energy - Addresses the challenges of replacing fossil fuels with renewables and covers the environmental impacts of each renewable energy

Download or read book Beyond Current Research Trends in CO2 Utilization written by Michele Aresta and published by Frontiers Media SA. This book was released on 2022-03-08 with total page 192 pages. Available in PDF, EPUB and Kindle. Book excerpt: