Article
Energy & Fuels
Lucas Farias Falcchi Correa, Kaj Thomsen, Philip Loldrup Fosbol
Summary: This study presents an optimized parameter set of the Extended UNIQUAC model for advanced mixed solvent solutions containing CO2-MDEA-NH3-K2CO3 in water. The model was parameterized using various thermal and equilibrium properties, and covers a wide range of temperatures and pressures. The new model parameters account for molecular interactions between MDEA and the other components, allowing for the design of advanced capture processes in CO2 capture operations.
Article
Environmental Sciences
Hatsuho Usuda, Koji Sakurai, Akira Takahashi, Tohru Kawamoto, Kimitaka Minami
Summary: The study utilized copper hexacyanoferrate adsorbent to desorb ammonia and turn it into a reusable form, demonstrating that adsorbed ammonia can desorb into saturated ammonium hydrogencarbonate solution. The precipitation of NH4HCO3 was confirmed, providing a new pathway for the recovery of ammonia from waste gas.
ENVIRONMENTAL POLLUTION
(2021)
Article
Engineering, Environmental
Federico Atzori, Francesco Barzagli, Alberto Varone, Giacomo Cao, Alessandro Concas
Summary: It is well known that CO2 capture and re-use is one of the main challenges to tackle global warming. Aqueous ammonia solutions have shown promising potential as sorbents for CO2 capture, offering higher absorption capacity, lower energy requirements, and greater resistance to degradation compared to conventional alkanolamines. This study investigates the chemical absorption of CO2 in aqueous NH3 solutions and proposes a mathematical model to quantify the capture efficiency dynamics and sorbent composition. The results validate the model's effectiveness in designing and optimizing the capture process, considering the effects of temperature and sorbent concentration.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Chemistry, Physical
Yuta Kaneko, Klaus S. Lackner
Summary: CO2 capture by amines has been extensively studied due to its industrial importance and the need to reduce CO2 emissions. Experimental evidence shows that CO2 sorption is accompanied by co-absorption of H2O. However, there is still no well-established analytical model to explain the enhancement of CO2 uptake capacity by water. In this paper, the authors generalize a model for CO2 sorption into various types of amines, including primary, secondary, tertiary, and quaternary ammonium, in both solution and solid forms. The model has been validated using experimental data for aqueous ammonia, and it offers a unified approach for treating isotherms of different amine systems.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Kui Tan, Saif Ullah, Haardik Pandey, Eder M. Cedeno-Morales, Hao Wang, Kunyu Wang, Hong-Cai Zhou, Jing Li, Timo Thonhauser
Summary: The competition between NH3 and H2O in metal-organic frameworks (MOFs) for adsorption sites is explored using in situ infrared spectroscopy and ab initio calculations. The results show that NH3 can displace metal-bound H2O at high NH3/H2O ratio, and vice versa. It is also found that the vibrational modes of adsorbed NH3 are significantly affected by water molecules. These findings provide mechanistic insights into molecular coadsorption processes in MOFs and have implications for NH3 removal efficiency assessment in humid conditions.
CHEMISTRY OF MATERIALS
(2022)
Review
Chemistry, Multidisciplinary
Mohammad Chehrazi, Bahareh Kamyab Moghadas
Summary: Over the past 30 years, the increase in energy demand due to technological advancements following the industrial revolution has led to a rise in CO2 and greenhouse gas concentrations globally. Reducing emissions of these gases has become a critical challenge for industries, and Carbon Dioxide Capture and Utilization (CCU) technology is seen as a potential solution. This article explores the possibility of using the new Chilled Ammonia Process (CAP) technology as an alternative method for CO2 recovery from ammonia plant flue gases, highlighting its advantages of capturing pollutants and converting them into valuable chemical fertilizers, while significantly reducing costs and energy consumption.
JOURNAL OF CO2 UTILIZATION
(2022)
Article
Green & Sustainable Science & Technology
Stylianos Pachitsas, Davide Bonalumi
Summary: The research shows that aqueous mixtures of NH3 and K2CO3 can effectively capture CO2 from industrial flue gases, and the ratio of NH3 and K2CO3 in the solvent affects the capture efficiency. Increasing the regeneration pressure can increase the regeneration temperature and reduce the heat duty of the reboiler.
INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
(2022)
Article
Chemistry, Multidisciplinary
Dengfei Jie, Zhanxiang Zhang, Jincheng He, Yafang Zhou, Guangyou Zhu
Summary: Pollution generated by livestock and poultry rearing is a significant environmental issue, and gas emissions during animal production are increasing. This study utilized waste tea litter as bedding material for broiler rearing and found that it reduced ammonia and carbon dioxide emissions without impacting broiler growth significantly.
APPLIED SCIENCES-BASEL
(2022)
Article
Engineering, Chemical
Kangkang Zhang, Shichen Sun, Nansheng Xu, Kevin Huang
Summary: In this study, a high-temperature CO2 transport and separation membrane made of BaZr0.8Y0.2O3-delta matrix and Li2CO3-Na2CO3 eutectic mixture was reported. Through microstructure optimization and H2O addition, the membrane demonstrated high CO2 flux and stability.
JOURNAL OF MEMBRANE SCIENCE
(2022)
Article
Energy & Fuels
Dongze Li, Lei Chen, Gang Liu, Jingfeng Xiao, Bingfan Li, Wenguang Yu
Summary: The NH3 replacement method shows potential advantages in enhancing the efficiency of natural gas hydrate exploitation, promoting the diffusion of methane molecules effectively, and outperforming CO2 replacement under certain conditions.
Article
Engineering, Chemical
Yue Li, Shaojuan Zeng, Shuang Zheng, TongTong Zhao, Xueqi Sun, Lu Bai, Chun Deng, Xiangping Zhang
Summary: In this study, multiproton ILs (MPILs) were designed to enhance NH3 uptake. A series of porous MPIL-based hybrid adsorbents were prepared for NH3 adsorption by dispersing MPILs onto molecular sieve HZSM-5. The highest NH3 adsorption capacity and selectivities were achieved by [EdteH6][TfO]2@HZSM-5-60, which provides a feasible way to design novel porous IL-based adsorbents for gas separation and recovery.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Multidisciplinary Sciences
Zhaohong Liu, Yong Yang, Qingmin Song, Linxuan Li, Giuseppe Zanoni, Shaopeng Liu, Meng Xiang, Edward A. Anderson, Xihe Bi
Summary: This study reports a chemoselective N-H insertion reaction of inexpensive aqueous ammonia using a TpBr3Ag-catalyzed two-phase system, leading to the conversion into value-added primary amines. The reaction exhibits high chemoselectivity and allows the coupling of inorganic nitrogen sources with diazo compounds or N-triftosylhydrazones to produce useful primary amines.
NATURE COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Shashi Kant Shukla, Yong-Lei Wang, Aatto Laaksonen, Xiaoyan Ji
Summary: A 30% (w/w) [ImCl][EDA]-based deep eutectic solvent (DES) in water has shown better CO2 uptake performance, desirable kinetics, lower regeneration enthalpy, and lesser degradation compared to the industrially popular 30% monoethanolamine (MEA) solution.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Nikola L. Drenchev, Boris L. Shivachev, Lubomir D. Dimitrov, Konstantin I. Hadjiivanov
Summary: Efficient CO2 capture materials should have high adsorption capacity, suitable CO2 adsorption enthalpy, and resistance to water vapor. This study investigates the effect of water on CO2 adsorption and identifies various mixed ligand complexes formed in the presence of water. The results show that water in moderate amounts does not block CO2 adsorption sites. Evaluation: 8/10
Article
Multidisciplinary Sciences
Kenji Sorimachi
Summary: The concentration of CO2 in the Earth's atmosphere has been gradually increasing since the Industrial Revolution. This research demonstrates a simple and innovative method to fix and store CO2 by using an aqueous solution of NaOH and CaCl2, which reacts with CO2 to produce harmless solid compounds and clean energy sources.
SCIENTIFIC REPORTS
(2022)
Article
Engineering, Chemical
Fernando de Azevedo Medeiros, Erling Halfdan Stenby, Wei Yan
Summary: The equilibrium calculation of a reactive mixture under phase-fraction specification was studied, utilizing the saturation RAND formulation and element-based partition coefficients. The methods showcased robustness and efficiency in various examples, including Pxy diagrams and phase envelopes for different mixtures. The developed algorithms can also be applied to simpler non-reactive mixtures.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Thermodynamics
Randi Neerup, Irene G. Stampino, Kaj Thomsen, Rolf W. Berg, Sebastian N. B. Villadsen, Philip L. Fosbol
Summary: In this study, the solid-liquid equilibrium of glycine-water and glycine-sodium hydroxide-sodium bicarbonate-water systems was determined using freezing point depression. The solubility of glycine was found to increase linearly with higher concentrations of sodium hydroxide, but decreased significantly with excess addition of sodium hydroxide and glycine. These findings contribute to a better understanding of phase equilibria in this system and have implications for CO2 capture.
JOURNAL OF CHEMICAL AND ENGINEERING DATA
(2022)
Article
Electrochemistry
Yingjun Cai, Tinghua Xu, Xianglei Meng, Nicolas von Solms, Haitao Zhang, Kaj Thomsen
Summary: The ionic liquid [PIVM][TFSA] was synthesized and used in the electrolyte of Li/LiNi0.6Co0.2Mn0.2O2 lithium ion batteries. It exhibited a wide liquid range and good thermal stability. When mixed with DMC and EMC, [PIVM][TFSA] showed good compatibility. The addition of 1.0 wt % [PIVM][TFSA] in the electrolyte improved the electrochemical performance of the batteries, including initial capacity, capacity retention, and high current rate performance. SEM and XPS analysis confirmed the participation of [PIVM][TFSA] in membrane formation on the electrodes.
ELECTROCHIMICA ACTA
(2022)
Article
Chemistry, Physical
Yingjun Cai, Yuqiu Chen, Haitao Zhang, Nicolas von Solms, Georgios M. Kontogeorgis, John M. Woodley, Kaj Thomsen
Summary: A computer-aided ionic liquid design method was used to screen and identify suitable ionic liquids for use as additives in electrolytes. A new type of ionic liquid was synthesized and tested in LTO/Li batteries, showing improved specific capacity and rate properties.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Engineering, Chemical
Yibo Yang, Erling H. Stenby, Alexander A. Shapiro, Wei Yan
Summary: Molecular diffusion plays a crucial role in determining the time to reach local equilibrium in a reservoir. However, there is a lack of accurate data and consensus on correlations for high-pressure diffusion coefficients of reservoir fluids. This study provides a systematic review and comprehensive comparison of commonly used correlations for hydrocarbon mixtures. The findings highlight the need for more accurate measurement and modeling of gas diffusion in high-pressure reservoir fluids.
Article
Thermodynamics
Amirali Rezazadeh, Kaj Thomsen, Hariklia N. Gavala, Ioannis V. Skiadas, Philip L. Fosbol
Summary: The Extended UNIQUAC electrolyte activity coefficient model accurately predicts the thermodynamics of the aqueous terephthalic acid, disodium terephthalate, sodium chloride, sodium hydroxide, ethylene glycol system. It can be used for simulation and process design of sustainable PET plastic recycling.
FLUID PHASE EQUILIBRIA
(2022)
Review
Energy & Fuels
Lucas F. F. Correa, Jiasheng Hao, Randi Neerup, Susana Almeida, Meng Shi, Kaj Thomsen, Philip L. Fosbol
Summary: Barium sulphate scaling is a major problem in the petroleum and geothermal industries, causing damage to equipment. Prevention of scaling requires understanding the solubility of BaSO4 in different brines at high pressure and temperature. This study reviews experimental methods and analyzes data to provide recommendations for future research.
Article
Engineering, Chemical
Alejandro Gomis, Philip L. Fosbol, Kaj Thomsen
Summary: The extended UNIQUAC activity coefficient model was used to simulate the water + short-chain alcohol + salt systems and achieved good agreement with experimental results over a wide temperature range.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2022)
Article
Energy & Fuels
Lucas Farias Falcchi Correa, Kaj Thomsen, Philip Loldrup Fosbol
Summary: This study presents an optimized parameter set of the Extended UNIQUAC model for advanced mixed solvent solutions containing CO2-MDEA-NH3-K2CO3 in water. The model was parameterized using various thermal and equilibrium properties, and covers a wide range of temperatures and pressures. The new model parameters account for molecular interactions between MDEA and the other components, allowing for the design of advanced capture processes in CO2 capture operations.
Article
Chemistry, Multidisciplinary
Meng Shi, Lucas F. F. Correa, Kaj Thomsen, Philip L. Fosbol
Summary: There are limited measurements of BaSO4 solubility in water above 373 K, particularly at water saturation pressure. This study designed and built an experimental apparatus to measure BaSO4 solubility in aqueous solutions under high-pressure, high-temperature conditions. The experimental results showed that the solubility of BaSO4 in pure water ranged from T = (323.1 to 440.1) K and pressures from p = (1 to 350) bar. Most measurements were done at water saturation pressure, with six data points above saturation pressure (323.1-373.1K) and 10 experiments at water saturation (373.1-440.1K). The reliability of the extended UNIQUAC model was demonstrated by comparing with existing experimental data in the literature, showing a good agreement with BaSO4 equilibrium solubility data. However, the accuracy of the model at high temperature and saturated pressure due to data insufficiencies was discussed.
Article
Engineering, Chemical
Daria Grigorash, Dmytro Mihrin, Rene Wugt Larsen, Erling H. Stenby, Wei Yan
Summary: The article introduces a new approach to describe the cross-association between molecules, allowing for the simulation of weakly bound molecular complexes with different conformations in mixtures. By incorporating this approach into the equation of state, accurate predictions of vapor-liquid equilibrium and liquid-liquid equilibrium can be made. The new method is validated through experiments on alcohol and acid mixtures, with the results compared to experimental data, demonstrating its accuracy and reliability.
CHEMICAL ENGINEERING SCIENCE
(2024)
Article
Thermodynamics
Duncan Paterson, Erling H. Stenby, Wei Yan
Summary: This paper introduces a new algorithm for solving general flash problems based on the state function. The algorithm utilizes canonical variables to solve the equation of state, simplifying the phase-split problem. A two-phase example is examined under various temperature and pressure conditions, while a multiphase mixture demonstration showcases the algorithm's effectiveness. The proposed algorithm helps solve complex flash problems commonly faced in modern process and reservoir simulations.
FLUID PHASE EQUILIBRIA
(2023)
Article
Engineering, Chemical
Meng Shi, Lucas F. F. Correa, Kaj Thomsen, Philip L. L. Fosbol
Summary: This study focuses on measuring and discussing the solubility of sparingly soluble salts in electrolyte fluids produced in geothermal wells and natural gas or oil reservoirs. The results reveal that temperature and ionic strength have an influence on the solubility of these salts, and the addition of other electrolytes can increase their solubility.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2023)
Article
Green & Sustainable Science & Technology
Prinu Narayanan, Maryam Khosravi, Rikke Weibel, Leonardo Teixeira Pinto Meirles, Niels Hemmingsen Schovsbo, Erling H. Stenby, Wei Yan
Summary: This study aims to investigate salt precipitation and formation damage through CO2 injection in underground storage reservoirs, using a long tube apparatus for experimentation and numerical simulation for evaluation.
CARBON CAPTURE SCIENCE & TECHNOLOGY
(2023)
Article
Thermodynamics
Yiqun Liu, Teresa Regueira, Erling H. Stenby, Wei Yan
Summary: High-pressure phase equilibrium and volumetric properties of light gas-stock tank oil systems were investigated. Nitrogen and carbon dioxide were examined along with stock tank oil under high-pressure and high-temperature conditions. Experimental data was compared to different equation of state models, and the deviations in density, compressibility, and pseudo-excess volume were analyzed. The results provide valuable insights for improving the description of phase behavior in HPHT reservoir fluids and gas injection processes.
FLUID PHASE EQUILIBRIA
(2024)
