Article
Energy & Fuels
D. Gomez-Diaz, M. Parajo, O. Richoux, M. D. La Rubia, A. Rumbo
Summary: The development of new solvents for carbon dioxide separation through chemical absorption has become increasingly important. The use of biphasic solvents in this process has shown promising results, with the proposed solvent based on N-ethylpiperidine exhibiting suitable performance at high organic phase/aqueous phase ratios. Further solvent regeneration studies have also yielded positive results, avoiding losses in absorption rate and capacity.
Review
Engineering, Environmental
Humbul Suleman, Abdulhalim Shah Maulud, Philip Loldrup Fosb, Qazi Nasir, Rizwan Nasir, Muhammad Zubair Shahid, Muhammad Nawaz, Mustafa Abunowara
Summary: This study reviews the development and performance of two types of semi-empirical equilibrium models for high pressure-high gas loadings, finding that small corrections are needed for good correlation at high pressure.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Article
Environmental Sciences
Maria Harja, Ramona Tataru-Farmus, Elisabeta Droniuc Hultuana, Consuelo Gomez de Castro, Gabriela Ciobanu, Liliana Lazar
Summary: This study investigates the post-combustion CO2 capture in potassium carbonate solution promoted by amines, with experimental results showing that the use of ethylenediamine can enhance the performance of the solution and achieve enhancement factor values between 1.8 and 3.
ENVIRONMENTAL ENGINEERING AND MANAGEMENT JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Chunliang Yang, Xiaoqing Yang, Tianxiang Zhao, Fei Liu
Summary: This study successfully converted CO2 into calcium carbonate microspheres using an environmentally-friendly method, and controlled the morphology and crystal phase of the product by adjusting reaction conditions.
JOURNAL OF CO2 UTILIZATION
(2021)
Article
Chemistry, Physical
Thomas Moore, Diego I. Oyarzun, Wenqin Li, Tiras Y. Lin, Maxwell Goldman, Andrew A. Wong, Shaffiq A. Jaffer, Amitava Sarkar, Sarah E. Baker, Eric B. Duoss, Christopher Hahn
Summary: In low-temperature CO2 electrolysis, the optimal single-pass CO2 conversion for ethylene production is typically low, around 5%-10%, but larger optima can be found with very low H2 faradic efficiency. Eliminating carbonate crossover strategies require more energy than downstream gas separation if they increase the cell potential by X0.2 V. However, when considering CAPEX, the break-even voltage increases to -0.4 to 0.8 V for electricity prices ranging from 6c/kWh to 1.5c/kWh. These findings highlight the importance of maintaining near-optimal electrolyzer performance over reducing or eliminating downstream gas separations.
Article
Thermodynamics
Xiong Xiao, Liam D. Tenardi, Mirhadi S. Sadaghiani, Ehsan Sadeghi Pouya, Xiaoxian Yang, Saif Al Ghafri, Arman Siahvashi, Tomoya Tsuji, Atsuhiro Yukumoto, Yoshio Seiki, Paul L. Stanwix, Eric F. May
Summary: Measurements of density, heat capacity, and vapour-liquid equilibrium for CO2 + difluoromethane (R32) have been conducted using various instruments and techniques. The results were used to regress the binary interaction parameters in the mixture functions of a thermodynamic model, resulting in noticeable improvements in density description.
INTERNATIONAL JOURNAL OF REFRIGERATION
(2023)
Article
Engineering, Chemical
Ehsan Heidaryan, Babak Aghel, Sasan Sahraie, Mahmoud Maleki
Summary: This study investigated the effects of temperature, solvent flow rate, and gas flow rate on carbon dioxide absorption and liquid-side volumetric mass transfer coefficient in a microreactor using various solvents. Ethylene glycol achieved the highest absorption (91.57%) and the highest klav value (18.2 s-1) at 15 degrees C, indicating its potential as an alternative solvent for carbon dioxide absorption applications.
JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS
(2023)
Article
Biochemistry & Molecular Biology
Fatin Nor Arissa Azhar, Mohd Faisal Taha, Siti Musliha Mat Ghani, Muhammad Syafiq Hazwan Ruslan, Noor Mona Md Yunus
Summary: This study investigated the solubility of carbon dioxide in MEA-BMIM hybrid solvents and used response surface methodology to design and analyze the experiments. The results showed that the addition of BMIM in the aqueous solution can enhance the solubility of CO2, and the optimum conditions for CO2 absorption in 30 wt% MEA-BMIM solution were identified.
Article
Environmental Sciences
Neha Kumari Agarwal, Bikash Kumar Mondal, Amar Nath Samanta
Summary: The vapor-liquid equilibrium (VLE) of CO2 in aqueous dipropylenetriamine (DPTA) was experimentally investigated, showing a higher CO2 loading capacity compared to conventional solvents. The data was correlated using the e-NRTL theory and found to be in good agreement. The study provides valuable insights into the performance of the aqueous DPTA solvent and its potential applications.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2021)
Article
Chemistry, Applied
Janna V. Veselovskaya, Vladimir S. Derevschikov, Anton S. Shalygin, Dmitry A. Yatsenko
Summary: By impregnating porous zirconia aerogels with K2CO3, a series of composite materials were prepared, with the composite sorbent containing 23% K2CO3 demonstrating the highest CO2 absorption capacity. The study suggests that some of the K2CO3 loaded into zirconia mesopores do not actively participate in CO2 absorption and desorption processes.
MICROPOROUS AND MESOPOROUS MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Qianmeng Zhao, Jian Chen, Mengqian Fu, Lili Deng, Yunong Li, Qian Su, Weiguo Cheng
Summary: This study developed a new strategy to enhance the catalytic activity of PILs by regulating their structure. A gradient structure with enriched ionic liquids on the surface was formed by shortening the alkyl chain length of the IL monomer, allowing for better utilization of the active sites. The PIL with a 4-carbon alkyl chain exhibited the best catalytic activity, and further analysis revealed that the release of Br- enhanced the catalytic activity.
APPLIED MATERIALS TODAY
(2023)
Article
Chemistry, Physical
Iwona Cichowska-Kopczynska, Dorota Warminska, Bartosz Nowosielski
Summary: This study explored the use of different DESs based on 3-amino-1-propanol as CO2 absorbents, investigating the effects of various parameters like HBA:HBD molar ratio, anion type, and alkyl chain length on CO2 uptake. Results showed that CO2 absorption improved with decreasing molar ratio of hydrogen bond donor, and the CO2 capacity of DESs varied depending on the specific molar ratio. Additionally, certain DESs exhibited higher CO2 uptake compared to others, with the best performance observed in one specific type of DES.
Review
Chemistry, Multidisciplinary
Theodoros Damartzis, Akrivi Asimakopoulou, Dimitrios Koutsonikolas, George Skevis, Chara Georgopoulou, George Dimopoulos, Lampros Nikolopoulos, Konstantinos Bougiouris, Hannes Richter, Udo Lubenau, Solon Economopoulos, Cristina Perinu, David Hopkinson, Grigorios Panagakos
Summary: Carbon capture on-board ships is an important technological measure for the shipping industry to reduce greenhouse gas emissions. This study comprehensively evaluates different solvents for post-combustion CO2 capture and finds that no solvent can meet all shipping requirements efficiently. However, widely used solvents like secondary amines show good compatibility with most requirements, while newly developed molecules like phase change solvents and ionic liquids have potential when reaching the same level of technological maturity. This highlights the need for further research on tailor-made and performance-targeted solvents.
APPLIED SCIENCES-BASEL
(2022)
Article
Chemistry, Physical
Masoumeh Karimi Alavijeh, Mostafa M. Amini, Behrouz Notash, Gholamhossein Mohammadnezhad
Summary: A new 3D potassium coordination polymer and its sulfono-tricarboxylic ligand were successfully synthesized and characterized in this study. The catalytic activities of the ligand in the CO2 cycloaddition reaction were investigated, showing efficient performance possibly due to the synergetic effect among the functional groups.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Thermodynamics
Yaqi Ding, Neng Gao, Nian Li, Guangming Chen, Yongmei Xuan
Summary: The vapor liquid equilibrium data of four ternary solutions with ionic liquids as additives were measured and show lower vapor pressure compared to binary solutions without ILs. Different ILs have varying effects on reducing the vapor pressure of HCOOK + H2O under specific conditions.
JOURNAL OF CHEMICAL THERMODYNAMICS
(2021)
Article
Engineering, Chemical
Jiyizhe Zhang, Wen Li, Kathryn Mumford, Weiyang Fei, Geoffrey Stevens, Yundong Wang
Summary: The study investigated drop sizes in a Karr column using a population balance model with drop breakage and coalescence considered. Model parameters were calculated through a two-step optimization method. Results showed that drop sizes decreased as reciprocating intensity increased, with phase velocities having little impact. Experimental data compared to predicted sizes showed good agreement.
Article
Engineering, Environmental
Seungju Kim, Daniel E. Heath, Sandra E. Kentish
Summary: Electrospun PVDF-HFP nanofibre membranes exhibit excellent performance for CO2 stripping, with improved hydrophobicity and CO2 stripping flux compared to traditional membranes. The bead-on-string membranes show superior long-term CO2 stripping flux, suggesting potential for membrane distillation applications.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Engineering, Chemical
Liang Liu, Jung Hyun Lee, Sang Hoon Han, Seong Yong Ha, George Q. Chen, Sandra E. Kentish, Jeong-Gu Yeo
Summary: This study investigates the separation performance of a commercial carbonized polyimide hollow fiber membrane module for post-combustion CO2 capture applications, showing high resilience to water and sulfur/nitrogen oxides, with high CO2 permeance and selectivity. Under mixed gas conditions, the higher permeance of SO2 and NO relative to nitrogen could lead to downstream corrosion issues, while the permeance of NO2 was low.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Engineering, Chemical
Moataz Ali El-Okazy, Liang Liu, Mohamed H. Abdellah, Eirini Goudeli, Sandra E. Kentish
Summary: This study investigates the sorption properties of a range of pure gases in amorphous glassy perfluoropolymers and calculates the diffusivity and activation energy using transport models. The results show that the CyclAFlor (TM) copolymer has superior performance for gas separation applications.
JOURNAL OF MEMBRANE SCIENCE
(2022)
Editorial Material
Engineering, Chemical
Lourdes F. Vega, Sandra E. Kentish
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Multidisciplinary Sciences
Masood S. Alivand, Omid Mazaheri, Yue Wu, Ali Zavabeti, Andrew J. Christofferson, Nastaran Meftahi, Salvy P. Russo, Geoffrey W. Stevens, Colin A. Scholes, Kathryn A. Mumford
Summary: This study presents a new approach for the synthesis of water-dispersible core-shell nanocatalysts using metal-organic frameworks (MOFs). By introducing functionalized nanoclusters during the self-assembly of MOFs, missing-linker deficiencies are induced to fabricate mesoporosity. The resulting nanocatalysts significantly reduce the energy consumption of CO2 capture and achieve a 10-fold improvement in efficiency compared to conventional catalysts.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Masih Karimi Alavijeh, Birgitte Zeuner, Anne S. Meyer, Sally L. Gras, Sandra E. Kentish
Summary: The use of dairy whey to produce 3'-sialyl-N-acetyllactosamine (3'-SLN), an important structural component of glycoproteins and a receptor analog for influenza viruses, represents a sustainable approach for environmental and economic development.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Article
Engineering, Chemical
Moataz Ali El-Okazy, Liang Liu, Yuecheng Zhang, Sandra E. Kentish
Summary: This study investigated the performance of glassy perfluoropolymers Cytop(R) and poly(50%PBVE-co-50%PDD) for carbon dioxide capture in raw natural gas. The presence of impurities, such as water vapor and toluene, affected the sorption isotherms and permeability of the membranes to CO2 and CH4. Liquid glycol carryover had no impact on Cytop(R) membranes, but slightly decreased the CO2/CH4 separation factor of poly(50%PBVE-co-50%PDD).
JOURNAL OF MEMBRANE SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Seungju Kim, Daniel E. Heath, Sandra E. Kentish
Summary: Polytetrafluoroethylene (PTFE) nanofiber membranes with novel crosshatched structures have been developed and applied for water desalination and CO2 separation. The crosshatched structure enables rapid gas and vapor transport due to low tortuosity and high porosity. The mass transfer in both membrane distillation (MD) and CO2 stripping is greatly improved with these novel membranes.
ADVANCED MATERIALS INTERFACES
(2022)
Article
Chemistry, Multidisciplinary
Yue Wu, Jessica Vovers, Hiep Thuan Lu, Wen Li, Geoffrey W. Stevens, Kathryn A. Mumford
Summary: In this study, the extraction process of morphine using Cyanex (R) 923 as an extractant was investigated. A reliable mass transfer correlation was established through regression, which can predict the extraction efficiency and morphine concentration.
SOLVENT EXTRACTION AND ION EXCHANGE
(2023)
Article
Energy & Fuels
Yuecheng Zhang, Sandra Kentish, Colin A. Scholes
Summary: This study investigates the compatibility of high-density polyethylene (HDPE) plastic piping and two elastomer materials, poly(styrene-co-butadiene) (SBR) and poly(acrylonitrile-co-butadiene) (NBR), with ammonia and dimethyl ether (DME) as hydrogen carrier fuels. The results show that the elastomers have higher solubility and permeability for both fuels compared to HDPE, and DME has a significant impact on the intrinsic properties of HDPE and the elastomers, leading to material deterioration. Therefore, while HDPE pipelines can transport ammonia, it is not feasible for DME transportation.
Article
Polymer Science
Ming Yu, Andrew B. Foster, Colin A. Scholes, Sandra E. Kentish, Peter M. Budd
Summary: Physical aging of glassy polymers reduces permeability over time, hindering the industrial application of high free volume polymers in membrane gas separation. This study demonstrates that storing PIM-1 TFC membranes in methanol vapor effectively retards physical aging and can also be used to refresh aged membranes, with one-week storage being sufficient to recover most of the original CO2 permeance.
Article
Chemistry, Multidisciplinary
Rebecca V. McQuillan, Geoffrey W. Stevens, Kathryn A. Mumford
Summary: This study demonstrates the effective encapsulation of water-soluble fertilizers using liquid marble (LM) technology. By fabricating polymeric shells of varying compositions and thicknesses, the release properties of the marbles can be controlled and adjusted to meet different application needs. A kinetic model is implemented to accurately simulate and predict the release characteristics.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING
(2022)
Letter
Multidisciplinary Sciences
Masood S. Alivand, Geoffrey W. Stevens, Kathryn A. Mumford
NATURE COMMUNICATIONS
(2023)
Article
Engineering, Chemical
Sin Sieng Gianna Sim, Qiuyue Wang, Sandra E. Kentish, George Q. Chen
Summary: This study systematically investigates the concentration-dependence of the equilibrium sorption of organic acid species in a strongly basic anion exchange membrane. The results show different forms of lactic acid and tartaric acid in the membrane phase, providing insights for the fundamental studies of organic ion transport in ion exchange membranes.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Thermodynamics
Haolei Yang, Xiaoqiang Bian, Lianguo Wang
Summary: A new association model, CPA-MHV1, combining the SRK equation of state with the CPA equation based on Michelsen's improved Huron-Vidal mixing rule, is developed. The model is used to investigate the vapor-liquid equilibrium of binary mixtures involving CH4, CO2, and H2O, as well as ternary mixtures containing NaCl. The results show that considering the solvation between CO2 and H2O yields the best performance, while CH4 with a pseudo-association scheme has the highest comprehensive prediction performance.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Vikas K. Sinha, Atanu K. Metya, Chandan K. Das
Summary: In this study, the solid-liquid coexistence curve for water was developed using coarse-grained mW and machine-learned ML-BOP water models. The ML-BOP model exhibited lower densities, a broader density-temperature hysteresis loop, and higher free energy compared to the mW model. The pressure dependence fusion curve for both models aligned with previous literature. This analysis demonstrates that the free energy method accurately captures the solid-liquid transformation and the thermodynamic melting point of water.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Curtis Hays Whitson
Summary: This article tells the story of an extraordinary individual who made numerous and valued contributions, portrayed through a few images and short stories.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Joe Hajjar, Sabine Enders
Summary: A generalized theoretical framework is introduced for multicomponent reactive nonuniform systems, combining the modified and generalized Cahn-Hilliard equation with a chemical kinetics model. The framework allows for the modelling and investigation of the combined reaction and diffusion in reactive liquid-liquid systems. It is found that for reacting mixtures with much smaller reaction rates than diffusion rates, the mixture will remain in phase equilibrium upon reaction and the interfacial chemical reaction will not affect the overall system dynamics, which are only influenced by the kinetics of the bulk phases.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Keycianne da Cruz Silva, Leticia Daniela de Souza, Vinicius Azevedo Gomes, Leandro Rodrigues de Lemos
Summary: Phase diagrams of four aqueous two-phase systems were determined experimentally, and conclusions were drawn regarding the effect of temperature on system enthalpy change and the influence of macromolecules on phase separation.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Yuanqing Wu, Shuyu Sun
Summary: The sparse-grid guided PINN training method improves the accuracy of the PINN surrogate model by rearranging collocation points and reduces the training time complexity. Experimental results demonstrate its clear advantages in terms of convergence, stability, and accuracy.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Peter Englezos
Summary: This article discusses the research progress and challenges in the field of canonical clathrate or gas hydrate phase equilibria, as well as the application of computational methods and models. It also explores the potential of machine learning techniques in hydrate and thermodynamic calculations.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Ying-Chieh Hung, Shao-Wei Su, Jia-Wei Yan, Gui-Bing Hong
Summary: In this study, VLE data for five binary systems were measured and successfully correlated using models. The predictive models were used to predict the binary VLE phase diagram and explain the mechanism of separation efficiency. The strength of electrostatic interactions and temperature-dependent separation behavior were determined through the analysis of molecular surface charge distribution.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Matevz Turk, Tomaz Urbic
Summary: By molecular dynamics and Monte Carlo simulations, this study determined the regions and hierarchy of anomalies in a purely repulsive core-softened system. It was found that in two dimensional systems, a size of 100 particles is sufficient for obtaining accurate details.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Adnan Jaradat, Rakan Al-Salman, Abdalla Obeidat
Summary: The vapor-liquid equilibrium of six primary alcohols were studied using molecular dynamics simulations and compared with experimental results. The study found that neglecting the Lennard-Jones interaction significantly reduced the critical temperature values and determining the critical temperature using surface tension gave more accurate results. The TraPPE-UA potential field showed good accuracy in predicting the critical temperature.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Michele Valsecchi, Amparo Galindo, George Jackson
Summary: The thermodynamic properties of aqueous mixtures of polyethylene glycol (PEG) are described using the SAFT-gamma Mie group-contribution equation of state. The model successfully predicts the miscibility gaps in a temperature range and shows good agreement with experimental results.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Roman Tomaschitz
Summary: Analytic closed-form expressions for the liquid and vapor saturation densities defining the coexistence curve are obtained. The coexistence curves of nitrogen, ethene, and sulfur hexafluoride are derived using high-precision data, and the critical power-law scaling of the order parameter and coexistence-curve diameter is examined. The Log-Log slopes of various quantities are used to determine the ideal power-law scaling regime and illustrate the slope evolution in the subcritical regime.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Nivaar Brijmohan, Kuveneshan Moodley, Caleb Narasigadu
Summary: An artificial neural network-based QSPR model was developed to estimate binary interaction parameters for the temperature-dependant form of the NRTL model. This model serves as a supplement to overcome limitations of group contribution methods in solvent screening and has been proven to be effective in improving the robustness of the screening process.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Marco Campestrini, Paolo Stringari, Salem Hoceini
Summary: In this paper, the solubility of benzene in different phases of methane was predicted using the GERG-2008 equation of state and the Gibbs free energy equation. The obtained results were in good agreement with experimental data and emphasized the significance of accurately representing the density of the fluid phase for predicting the solubility of solids in fluids.
FLUID PHASE EQUILIBRIA
(2024)
Article
Thermodynamics
Nefeli Novak, Georgios M. Kontogeorgis, Marcelo Castier, Ioannis G. Economou
Summary: This paper discusses theoretical considerations on electrolyte thermodynamic models for single and mixed solvent solutions. The authors find that there is no consensus among researchers on many fundamental issues in this field. They point out the need to convert electrolyte terms to the framework of the physical model and emphasize the importance of the Born term for liquid-liquid equilibrium calculations.
FLUID PHASE EQUILIBRIA
(2024)
