Article
Chemistry, Physical
Ionela-Dorina Dumbrava, Calin-Cristian Cormos, Arpad Imre-Lucaci, Ana-Maria Cormos
Summary: Glycerol, a by-product of biodiesel synthesis, can be transformed into an energy carrier for renewable energy. This study investigated the performance of a packed bed reactor using a Ni-based catalyst for hydrogen production from glycerol under supercritical conditions. The results showed high hydrogen yield and almost complete glycerol conversion. The optimal process parameters were determined through CFD modeling and validated with experimental data.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2022)
Article
Engineering, Chemical
M. Constanza Sadino-Riquelme, Jose Rivas, David Jeison, Andres Donoso-Bravo, Robert E. Hayes
Summary: This paper presents a computational modelling study of a mixing tank for bioprocess applications, validating a single-phase transient model and comparing turbulence models for closure of RANS equation. By examining experimental measurements, the importance of various assumptions and key steps in simulating mixing processes is highlighted.
CANADIAN JOURNAL OF CHEMICAL ENGINEERING
(2022)
Article
Chemistry, Multidisciplinary
Florentina Maxim, Konstantinos Karalis, Pierre Boillat, Daniel T. Banuti, Jose Ignacio Marquez Damian, Bojan Niceno, Christian Ludwig
Summary: The study provides a quantitative analysis of the thermodynamics and dynamics of water's pseudo-boiling phenomenon. It shows that during isobaric heating near the critical point, water density drops by a factor of three in the pseudo-boiling transitional region, requiring over 16 times less energy to increase its temperature by 1 K than to change its structure from liquid-like to gas-like phase. Above the pseudo-boiling Widom line, liquid-like water consists mainly of tetramers and trimers, while below the line, mostly dimers and monomers form in the gas-like phase.
Article
Engineering, Chemical
Xinxin Tang, Yuanhe Yue, Shuai Wang, Yansong Shen
Summary: In this work, a computational fluid dynamics-discrete element method-data coupled with volume of fluid is developed to describe the gas-solid-liquid flow and mixing behaviors in a rotary drum. The effects of liquid presence and rotating speed on the mixing performance are studied.
Review
Mathematics, Applied
Conor Heffernan, Colm-cille P. Caulfield
Summary: This study investigates how the structure of the initial scalar distribution affects the mixing achieved, focusing on both initially rectilinear 'stripes' and disc-like 'drops'. It is found that the geometry of the initial scalar distribution significantly influences the stirring of the initial velocity perturbations and the resulting mixing. Additionally, the structure of the optimal perturbations varies with the scaled Peclet number defined in terms of the drop scale.
PHYSICA D-NONLINEAR PHENOMENA
(2023)
Article
Thermodynamics
Krishnamoorthy Viswanathan, Gautham Krishnamoorthy
Summary: This study uses numerical simulations to demonstrate that heat transfer of supercritical CO2 under constant wall heat flux conditions is significantly influenced by the magnitude of the imposed heat flux, while being independent of the inlet Reynolds number.
INTERNATIONAL COMMUNICATIONS IN HEAT AND MASS TRANSFER
(2021)
Article
Chemistry, Physical
Jianqiao Yang, Shuzhong Wang, Jiahuan Wang, Jinlong Wang, Baoquan Zhang, Lu Liu, Wei Liu, Yanhui Li, Donghai Xu
Summary: This study conducted erosion-corrosion experiments on Ni based alloys in a high-temperature and high-pressure supercritical water environment. It was found that the erosion process does not change the basic corrosion mechanism, but it does affect the oxidation rates of the alloys. The inner oxide layer formed during the corrosion process remains and acts as a barrier against further corrosion.
JOURNAL OF SUPERCRITICAL FLUIDS
(2022)
Article
Electrochemistry
Xu Zhou, Chuanhua Liao, Yinfeng Wang, Yuezhao Zhu
Summary: The first Pourbaix diagrams of the Fe-Cl--H2O ternary system under supercritical water conditions were established in this study to predict the evolution process of metals in thermodynamics equilibrium. Results showed that with the increase of chloride concentration, the FeCl3 (aq) corrosion zone eroded the hematite and magnetite passivation film and ferrous iron, while the range of the immunization zone remained almost unchanged.
ELECTROCHIMICA ACTA
(2021)
Article
Chemistry, Physical
Jianqiao Yang, Jiyuan Sun, Shuyuan Bai, Hao Wu, Shuzhong Wang, Yanhui Li, Wenhao Ma, Donghai Xu
Summary: The study found that the stability of the Cr coating in supercritical water oxidation environment is influenced by the oxygen concentration, with higher concentrations leading to poorer stability of the Cr2O3 layer.
JOURNAL OF SUPERCRITICAL FLUIDS
(2022)
Article
Thermodynamics
Branson W. Davis, Jordi Poblador-Ibanez, William A. Sirignano
Summary: Numerical analysis of a shear layer between cool liquid n-decane hydrocarbon and hot oxygen gas at supercritical pressures reveals a well-defined phase equilibrium can be established, with nearly constant results within the laminar flow region and thick diffusion layers supporting continuum theory and phase equilibrium around the liquid-gas interface. Net mass flux shifts across the interface as pressure is increased, with net vaporization at low pressures and net condensation at high pressures. Similar one-dimensional profiles are observed at high Reynolds numbers, indicating validity of the boundary layer approximation and similarity in both phases.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Thermodynamics
Fabio Murena, Imma Gaggiano, Benedetto Mele
Summary: This paper presents the experimental data and analysis results of a pilot plant for a solar chimney, focusing on its fluid dynamic performances. A computational fluid dynamics (CFD) model is developed to simulate the thermal and fluid dynamic behavior of the chimney. The results provide valuable insights for the correct design of solar chimneys and understanding their main operating parameters.
Article
Materials Science, Multidisciplinary
Yong Gui, Zhiyuan Liang, Shuo Wang, Qinxin Zhao
Summary: The effect of stress on the corrosion behavior and mechanical properties of T91 tube exposed to high-temperature supercritical carbon dioxide (S-CO2) was studied. The results showed that the yield strength, ultimate tensile strength, and elongation of T91 tube decreased after exposure to S-CO2. In addition, a significant amount of carbide precipitates were observed in the Fe-Cr-rich corrosion layer of T91 tube, which was attributed to the increased ion diffusion and carburizing rate under stress. Consequently, the corrosion rate of T91 tube was significantly faster than that of T91 coupon.
Article
Thermodynamics
Jie Ma, Hongsheng Liu, Liang Li, Maozhao Xie
Summary: A multi-component trans-/supercritical spray model based on OpenFOAM is developed, which covers the real fluid equation of state, mixing rules, and thermodynamic properties. The results show that the jet is sensitive to the initial jet temperature and chamber pressure, and the heat shield effect of pseudo-boiling delays the breakup and mixing. The choice of mixing rules has a decreasing influence on the pseudo-boiling phenomenon under supercritical conditions.
COMBUSTION SCIENCE AND TECHNOLOGY
(2023)
Article
Environmental Sciences
Ruidi Bai, Zhongtian Bai, Hang Wang, Shanjun Liu
Summary: This study investigates the vegetated flow in the supercritical flow regime and finds that vegetation conditions affect the flow self-aeration and bubble distribution. However, the variation in water temperature has little influence on the flow characteristics.
WATER RESOURCES RESEARCH
(2022)
Article
Materials Science, Multidisciplinary
L. Teeter, B. Adam, T. Wood, J. D. Tucker
Summary: The corrosion resistance of structural alloys under different environments was studied, revealing that alloys exposed to sCO(2) were more aggressive in corrosion and exhibited signs of recrystallization.
Article
Materials Science, Ceramics
Sabrin A. Samad, Abul Arafat, Rebecca Ferrari, Rachel L. Gomes, Edward Lester, Ifty Ahmed
Summary: This study investigated the effect of heat treatment on porous glass microspheres produced via a novel flame spheroidization process and explored their suitability for dye removal from water. Results showed that heat-treated microspheres exhibited higher dye adsorption rates compared to nonheat-treated microspheres, achieving a significant increase in specific surface area and pore volume. Dye separation was achieved through electrostatic interaction, hydrogen bonding, and Lewis acid-base interaction without the need for additional functionalization of the microspheres.
INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE
(2022)
Article
Environmental Sciences
Ammar Al-Atta, Farooq Sher, Abu Hazafa, Ayesha Zafar, Hafiz M. N. Iqbal, Emina Karahmet, Edward Lester
Summary: The study successfully synthesized a novel Fe(2)O(3) nano-catalyst using supercritical water oxidation method, and demonstrated its excellent performance in COD reduction and phenol oxidation through characterization and experiments.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Chemistry, Multidisciplinary
Orla Sioned Aine Williams, Patrick Daley, Joseph Perkins, Karen Lorena Martinez-Mendoza, Juan Guerrero-Perrez, Lyna Maria Sabogal Mazabuel, Edward Andres Garcia Saavedra, Maria Trujillo, Juan Barraza-Burgos, Maribel Barajas, Manuel Hernando Romero, Edward Henry Lester
Summary: This study demonstrates for the first time that a common fertilizer, calcium nitrate, can be used in the beneficiation of low-grade Colombian coals, reducing ash levels to acceptable levels for coke manufacturing or pulverized fuel combustion. Additionally, the use of thermal mechanical analysis and ash fusion oven provides a novel method for analyzing coal swelling with small sample sizes.
Article
Engineering, Multidisciplinary
Jorge Duenas-Pamplona, Javier Garcia Garcia, Francisco Castro, Jorge Munoz-Paniagua, Javier Goicolea, Jose Sierra-Pallares
Summary: This study proposes a novel method to parameterize the left atrium (LA) based on patient-specific atrial geometry, allowing for a comprehensive analysis of different parameters affecting left atrium appendage (LAA) stasis. The study also introduces a new method to quantify the LAA dead volume using the fourth moment of the blood age probability distribution (M4). The findings illustrate the influence of geometric and flow parameters on LAA stasis and have potential clinical implications for thrombosis risk prediction.
APPLIED MATHEMATICAL MODELLING
(2022)
Article
Energy & Fuels
Fatih Gulec, Direnc Pekaslan, Orla Williams, Edward Lester
Summary: This study applies artificial neural network (ANN) models to predict the higher heating value (HHV) of biomass feedstocks and comprehensively analyzes the factors that affect the prediction, including activation functions, algorithms, hidden layers, dataset, and randomization. The results show that using ANN models trained by the combination of ultimate-proximate analyses (UAPA) datasets, with sigmoidal activation functions (tansig and logsig), and with Levenberg-Marquardt (lm) or Bayesian Regularization (br) algorithms as training activation functions, can provide accurate HHV prediction.
Article
Engineering, Chemical
A. Dinis S. Nunes, Jose Sierra-Pallares, Khanh-Quang Tran, R. Jason Hearst
Summary: A thermophysical model is developed to predict the properties of lignin mixtures under hydrothermal conditions. Uncertainty quantification and flow simulation verify the model and determine the impact of density, heat capacity, and viscosity on the reaction process.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Chemistry, Physical
Sabrin A. Samad, Abul Arafat, Edward Lester, Ifty Ahmed
Summary: This study developed a solvent-free method for upcycling waste glass into porous glass microspheres, which showed potential in removing organic pollutants like organic dyes. The experiment demonstrated high adsorption capacities for Acid red 88 and Methylene blue dyes, and the removal process was attributed to electrostatic interaction and hydrogen bond formation.
Article
Engineering, Environmental
Felipe Carreno-Lopez, Patricio A. Moreno-Casas, Felipe Scott, Jon Iza, Jose Sierra-Pallares, Raul Munoz, Alberto Vergara-Fernandez
Summary: This study validates a Computational Fluid Dynamics (CFD) model coupled with a 3D computational tomography (CT) bed description of the gas flow field in a packed column used for gas biofiltration. The validation is conducted by constructing the gas residence time distribution (RTD) from sensor measurements using a mathematical model. The coupled CFD-CT model obtains the steady-state velocity field inside the packed bed and simulates tracer injection over the velocity field to compare the experimental and simulated RTD. The results show good agreement and demonstrate the potential of using this methodology for CFD simulations and studying processes at the microscale in packed bed biofiltration reactors.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Multidisciplinary Sciences
J. Anatol, M. Garcia-Diaz, C. Barrios-Collado, J. A. Moneo-Fernandez, M. Horvath, T. Parra, F. Castro-Ruiz, E. T. Roche, J. Sierra-Pallares
Summary: The study explored the performance of an asymmetric pump for potential application in extravascular flow augmentation. Tests on various tube thicknesses and pinching frequencies showed that the pump's performance met physiological requirements for pediatric circulatory devices. Pure asymmetric pumping is seen as promising for selected cardiovascular applications due to its lack of reverse flow and mechanical simplicity.
SCIENTIFIC REPORTS
(2022)
Article
Energy & Fuels
Jiahui Yu, Shuai Liu, Shu Liu, Peng Jiang, Edward Lester, Chenwei Li, Meichun Ding, Changxiang Shao, Kaiqi Shi, Tao Wu
Summary: A new preparation method is developed for the Ce/Ni-ZrO2 nano-catalyst and it exhibits a large nickel surface area and small particle size. The use of UiO-66 as a precursor for ZrO2 and a dispersant for nickel nanoparticles improves the catalytic performance. The catalyst shows excellent performance at high GHSVs with a CO2 conversion decrease of only 32.1% compared to the control group's 50.3% decrease.
Article
Green & Sustainable Science & Technology
Lingyun Zhang, Qun Shen, Cheng Heng Pang, Wei Chao, Shuhuan Tong, Kien Woh Kow, Edward Lester, Tao Wu, Li Shang, Xuehang Song, Nannan Sun, Wei Wei
Summary: The conversion of Linz-Donawitz Gas from the steel industry into ethanol (LDG-ethanol) has shown promise as a valuable method for utilizing tail-gas. However, there is still a lack of systematic and objective understanding of its environmental impact benefits. In this study, the environmental footprint of LDG-ethanol technology is analyzed through life cycle assessment (LCA) and compared with its competitors under different development scenarios. The assessment results demonstrate that LDG-ethanol is the most environmentally friendly option, with an environmental impact value 22%-25% lower than Corn-ethanol and Coal-ethanol routes. Moreover, by reducing electricity consumption and incorporating green power, the environmental footprint of LDG-ethanol can be further reduced by 15%-68%. This makes LDG-ethanol an attractive option for achieving decarbonization goals, especially as grid decarbonization progresses.
JOURNAL OF CLEANER PRODUCTION
(2023)
Article
Mechanics
J. Anatol, M. Garcia-Diaz, C. Barrios-Collado, J. A. Moneo-Fernandez, F. Castro-Ruiz, J. Sierra-Pallares
Summary: Asymmetric pumping can be achieved by periodically compressing a flexible tube in its plane of symmetry using an actuator, as long as the rigid pipes connected to its ends are asymmetric. This mechanism, together with impedance pumping, composes the Liebau effect. While there have been numerous studies on impedance pumping, there is a lack of available research on asymmetric pumping. The aim of this study is to examine the influence of key parameters on the performance of this type of pump, and it implements an actuator based on soft robotics technology in asymmetric valveless pumping for the first time. The developed pump can be applied in different areas involving the pumping of special fluids, including biomedical applications.
Article
Chemistry, Physical
Farah Nigar, Amy-Louise Johnston, Jacob Smith, William Oakley, Md Towhidul Islam, Reda Felfel, David Grant, Edward Lester, Ifty Ahmed
Summary: This study utilized biowastes from agriculture, sewage, household wastes, and industries to produce value-added calcium phosphates (CaPs) using a continuous flow hydrothermal synthesis route. The eggshells served as a calcium source, struvite as a phosphate source, and CH3COOH as a dissolution media. The resulting CaPs had varying morphologies of magnesium whitlockite (Mg-WH) and hydroxyapatite (HA), with Ca/P ratios indicating the formation of Mg-WH and HA. This research demonstrates the potential of utilizing waste-derived materials to produce CaPs with promising properties.
Review
Biotechnology & Applied Microbiology
Fatih Gulec, Anburajan Parthiban, Great C. Umenweke, Umaru Musa, Orla Williams, Yasna Mortezaei, Hyun Suk-Oh, Edward Lester, Chukwuma C. Ogbaga, Burcu Gunes, Jude A. Okolie
Summary: This article discusses the thermochemical methods and trends in biomass utilization for sustainable energy production, and introduces the challenges and prospects of various conversion technologies. Additionally, the article explores biomass thermochemical conversion processes combined with carbon capture to achieve negative net atmospheric carbon emissions.
BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR
(2023)
Article
Materials Science, Multidisciplinary
John Luke Woodliffe, Amy-Louise Johnston, Michael Fay, Rebecca Ferrari, Rachel L. Gomes, Ed Lester, Ifty Ahmed, Andrea Laybourn
Summary: Metal-organic frameworks (MOFs) have high potential for carbon dioxide capture due to their sorption capacities. However, they are thermally insulating, making thermal CO2 regeneration challenging. This study presents magnetic framework composites (MFCs) that include magnetic nanoparticles within MOF structures for efficient CO2 regeneration. The MFCs show high CO2 adsorption capacities and rapid heating capabilities, produced in a sustainable and scalable manner.
MATERIALS ADVANCES
(2023)
Article
Chemistry, Physical
P. Belmonte, J. M. Garcia-Vargas, J. F. Rodriguez, I. Garrido, M. T. Garcia, M. J. Ramos
Summary: In this study, four polythiourethane films with different types of polyols and isocyanates were synthesized, characterized, and foamed. The results showed that the type of isocyanate greatly influenced the crystallinity and stiffness of the polymers, while the type of polyol modified the FT-IR spectra and the decomposition curve of the material with temperature. Furthermore, the choice of isocyanate also affected the properties of the foams obtained from the polymeric material.
JOURNAL OF SUPERCRITICAL FLUIDS
(2024)
Article
Chemistry, Physical
Xutao Zhu, Jianguo Yan, Shouchun Liu, Fengling Zhu
Summary: This study experimentally assessed the hydrodynamic characteristics of supercritical-pressure R134a in a horizontal circular tube. It was found that the hydrodynamic characteristic curve of R134a under supercritical pressure does not have a negative-slope region but a transition region. The transition region becomes more evident with increasing heat flux, while it weakens with increasing pressure and inlet temperature. Moreover, the onset of the transition region shifts in the direction of high mass flow rate with increasing heat flux.
JOURNAL OF SUPERCRITICAL FLUIDS
(2024)
Article
Chemistry, Physical
Stefania Mottola, Iolanda De Marco
Summary: In this study, corticosteroids were micronized with cyclodextrin using Supercritical Assisted Atomization (SAA), resulting in spherical micrometric particles with improved dissolution time.
JOURNAL OF SUPERCRITICAL FLUIDS
(2024)
Article
Chemistry, Physical
Honghai Liu, Yu Xie, Zhilan Li, Xiaokai Zhang
Summary: This study compared the effects of supercritical carbon dioxide dewatering (SCD) and conventional kiln drying (CKD) at a temperature of 55 degrees C on the dewatering rate, moisture transfer and distribution, shrinkage, and stress characteristics of bamboo strips. The results showed that SCD had a faster dewatering rate and lower shrinkage compared to CKD, but was less effective in reducing drying stress in bamboo.
JOURNAL OF SUPERCRITICAL FLUIDS
(2024)
Article
Chemistry, Physical
Tahmasb Hatami, Ozan N. Ciftci
Summary: This study fills the gap in previous research by establishing a hierarchy of significance for factors affecting SFE profitability, providing a deeper understanding of how technical and economic factors impact profitability. The findings highlight that the SFE facility becomes profitable when the extractor capacity surpasses 42 L.
JOURNAL OF SUPERCRITICAL FLUIDS
(2024)
Article
Chemistry, Physical
Tingshan Guo, Chuang He, Zhiyuan Liang, Qinxin Zhao
Summary: The initial oxidation behavior of Fe10Cr and Fe20Cr alloys in supercritical H2O and supercritical CO2 with O2 has been investigated. The results show that O2 has the highest adsorption energy on FeCr alloys and reacts faster than H2O and CO2.
JOURNAL OF SUPERCRITICAL FLUIDS
(2024)
Article
Chemistry, Physical
Vikash Chandra Roy, Jin-Seok Park, Ahmed Redwan Haque, Md Sadek Ali, Hee-Jeong Lee, Byung-Soo Chun
Summary: This research aimed to valorize brewery spent grain (BSG) using subcritical water hydrolysis (SWH) modified by six different natural deep eutectic solvents (DES) and determining their bipotentialities. The findings showed that BSG hydrolysates obtained through DES-induced SWH contained high levels of sugars, proteins, flavonoids, phenolic compounds, and essential amino acids. The hydrolysates also demonstrated antimicrobial activities, and the presence of bioactive compounds was confirmed through FT-IR analysis. This comprehensive profiling of bioactive compounds from BSG using DES-mediated SWH can contribute to the efficient valorization of BSG for industrial purposes.
JOURNAL OF SUPERCRITICAL FLUIDS
(2024)
Article
Chemistry, Physical
Kailiang Zhang, Hanyu Wang, Tong Liu, Zhu Wang, Lvxing Wang, Ping Fan, Feng Chen, Mingqiang Zhong, Bozhen Wu, Shanqiu Liu, Jintao Yang
Summary: This study investigates the influence of foam cell structure on the electromagnetic interference shielding performance of conductive polymer composite foam. The results suggest that foamed composites exhibit improved EMI shielding performance, and bimodal cell foams have higher electric conductivity but lower EMI shielding compared to uniform cell foams.
JOURNAL OF SUPERCRITICAL FLUIDS
(2024)
Article
Chemistry, Physical
Jaromir Valtr, Petr Roztocil, David Dasek, Radek Musalek, Frantisek Lukac, Jakub Klecka, Marek Janata, Mariana Arnoult-Ruzickova, Eva Mistova, Ludek Jelinek, Petr Sajdl, Jan Macak
Summary: This paper focuses on the design of an experimental facility for in-situ electrochemical testing at supercritical water conditions, including the design of the electrode system and surface insulation coating for electrode leads.
JOURNAL OF SUPERCRITICAL FLUIDS
(2024)
Article
Chemistry, Physical
Richard Djimasbe, Mikhail A. Varfolomeev, Nailya M. Khasanova, Ameen A. Al-Muntaser, Rustam R. Davletshin, Muneer A. Suwaid, Gazinur Z. Mingazov
Summary: This study confirms the capability of supercritical water to generate active hydrogen that interacts with different fractions in unconventional feedstocks, leading to synthetic oil production during hydrothermal reactions. The findings suggest that a maximum yield of 16.78% can be achieved at a temperature of 380 oC and a reaction time of 1-12 hours.
JOURNAL OF SUPERCRITICAL FLUIDS
(2024)
