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Emerging magnetic MXenes in water treatment, desalination, and resource recovery: Advances, challenges, and prospects

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Separation and Purification Technology 2025年 372卷

作者： Ihsanullah, I. Bilal, Muhammad Sajid, Muhammad Chemical and Water Desalination Engineering Program College of Engineering University of Sharjah Sharjah27272 United Arab Emirates Department of Chemical and Biological Engineering Monash University ClaytonVIC3800 Australia Applied Research Center for Environment and Marine Studies Research Institute King Fahd University of Petroleum and Minerals Dhahran31261 Saudi Arabia

MXenes are a class of two-dimensional (2D) transition metal carbides, nitrides, and carbonitrides that have gained significant attention due to their outstanding physicochemical properties. Among their derivatives, magnetic MXene-based composites have emerged as promising candidates for a wide range of environmental applications. Their effectiveness is attributed to features such as high specific surface area, tunable interlayer spacing and surface chemistry, abundant active sites, and ease of functionalization into magnetic nanostructures. This review critically assesses the potential of magnetic MXenes in environmental remediation, with particular emphasis on water treatment, desalination, and resource recovery. The applications discussed include the removal of hazardous dyes, heavy metals, radionuclides, nutrients, and pharmaceuticals, along with the catalytic degradation of persistent organic pollutants. The potential of these materials for oil recovery and desalination is also examined. Key factors such as regeneration capability, long-term stability, and adsorption selectivity are analyzed in depth. Special attention is given to their performance in real water matrices, underscoring their applicability in practical scenarios. Furthermore, this review summarizes reported studies on life cycle assessment (LCA), environmental impacts, and toxicity to provide a comprehensive perspective on the sustainable use of MXenes. Finally, existing challenges associated with the use of magnetic MXenes are highlighted, along with proposed strategies to address them. © 2025 Elsevier B.V.

关键词： Surface chemistry

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Modeling phase equilibria of semiclathrate hydrates of CH_4,CO_2 and N_2 in aqueous solution of tetra-n-butyl ammonium bromide

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Journal of Natural Gas Chemistry 2012年第4期21卷 459-465页

作者： Abhishek Joshi Prathyusha Mekala Jitendra S.Sangwai Petroleum Engineering Program Department of Ocean EngineeringIndian Institute of Technology MadrasChennai-600 036India

Semiclathrate hydrates of tetra-n-butyl ammonium bromide （TBAB） offer potential solution for gas storage, transportation, separation of flue gases and CO2 sequestration. Models for phase equilibria for these systems have not yet been developed in open literatures and thus require urgent attention. In this work, the first attempt has been made to model phase equilibria of semiclathrate hydrates of CH4, CO2 and N2 in aqueous solution of TBAB. A thermodynamic model for gas hydrate system as proposed by Chen and Guo has been extended for semiclathrate hydrates of gases in aqueous solution of TBAB. A correlation for the activity of water relating to the system temperature, concentration of TBAB in the system and the nature of guest gas molecule has been proposed. The model results have been validated against available experimental data on phase equilibria of semiclathrate hydrate systems of aqueous TBAB with different gases as guest molecule. The extended Chen and Guo＇s model is found to be suitable to explain the promotion effect of TBAB for the studied gaseous system such as, methane, carbon dioxide and nitrogen as a guest molecule. Additionally, a correlation for the increase in equilibrium formation temperature （hydrate promotion temperature, ATp） of semiclathrate hydrate system with respect to pure gas hydrate system has been developed and applied to semiclathrate hydrate of TBAB with several gases as guest molecules. The developed correlation is found to predict the promotion effect satisfactorily for the system studied.

关键词： gas hydrate phase equilibria semiclathrate hydrate tetra-n-butyl ammonium bromide （TBAB）

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Numerical modeling of real-time gas influx migration in vertical wellbores during drilling operation

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International Journal of Energy for a Clean Environment 2019年第2期20卷 95-111页

作者： Chandrasekaran, Sridharan Suresh Kumar, Govindarajan Petroleum Engineering Program Department of Ocean Engineering IIT-Madras Chennai600036 India

In this work, a mathematical one-dimensional two-phase model (liquid + gas) has been developed to simulate the dynamic flow system in the event of a gas kick during vertical drilling. The flow system is a drift-flux model where the fluid properties are represented by averaged mixture properties rather than by two independent formulations. With this model, different flow scenarios and influx fluid propagation are investigated in vertical wells. The numerical solution is based on finite volume staggered discretization solved implicitly by a first-order upwind scheme. A sensitivity analysis of the influx model parameters, namely, the gas slip velocity, was performed and its impact on the bottom hole pressure and kick propagation is demonstrated. This model is further extended to predict the kick velocity and pressure in the annulus at the bit based on surface flow measurements in real-time drilling. This paper details on the model development of transient two-phase flow along with validation with experimental results. It is foUnd from the study that the developed light-weight simulation model could be employed in real-time drilling to model influx events, and the drift -flux simulation approach is comparable with the experimental and analytical results. © 2019 by Begell House, Inc.

关键词： Numerical models

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Effect of ammonium based ionic liquids on the rheological behavior of the heavy crude oil for high pressure and high temperature conditions

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petroleum 2022年第4期8卷 552-566页

作者： Sivabalan Sakthivel Sugirtha Velusamy Center for Integrative Petroleum Research(CIPR) College of Petroleum Engineering&GeosciencesKing Fahd University of Petroleum&MineralsDhahran31261Saudi Arabia Petroleum Engineering Program Department of Ocean EngineeringIndian Institute of Technology MadrasChennai600036India

Heavy crude oil(HCO)production,processing,and transportation forms several practical challenges to the oil and gas industry,due to its higher *** the shear rheology of this HCO is highly important to tackle production and flow *** environmental and economic viability of the conventional methods(thermal or dilution with organic solvents),force the industry to find an *** present study was constructed to investigate the effect of eco-friendly ionic liquids(ILs)on the HCO's rheology,at high temperature and high *** different alkyl ammonium ILs were screened for HCO's shear rheology at the temperatures of 25-100℃ and for pressures 0.1e10 *** addition of ILs reduced the HCO's viscosity substantially from 25 to 33%from their original HCO ***,it aids to reduce the yield stress to about 15-20%at all the studied experimental ***,the viscoelastic property of the HCO was studied for both strain-sweep and frequencysweep and noticed the ILs helps to increase HCO's loss modulus(G00)by reducing storage modulus(G0),it leads to the reduction of the crossover point around 25-32%than the standard *** the ILs addition with HCO converts its solid-like nature into liquid-like ***,the effect ILs chain length was also studied and found the ILs which has lengthier chain length shows better efficiency on the ***,the microscopic investigation of the HCO sample was analyzed with and without ILs and witnessed that these ILs help to fragment the flocculated HCO into smaller *** findings indicate that the ILs could be considered as the better alternative for efficient oil production,processing,and transportation.

关键词： Crude oil Ionic liquids Loss modulus Microscopy Storage modulus Viscosity reduction

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Numerical modeling of hyperbolic dominant transient fluid flow in saturated fractured rocks using Darcian approach

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Groundwater for Sustainable Development 2018年 7卷 56-72页

作者： Govindarajan, Suresh Kumar Rakesh, T.V. Petroleum Engineering Program Department of Ocean Engineering Indian Institute of Technology – Madras Chennai600036 India

A numerical model has been developed for simulating fluid flow in a coupled fracture-matrix system by considering a hyperbolic dominant fluid flow equation within the fracture as against the conventional parabolic dominant fluid flow equation. In addition, for the first time a transient fluid mass transfer function has been introduced in the governing equation of fluid flow within the rock-matrix in order to explicitly consider the fluid drainage from rock-matrix into the fracture. The effectiveness in modeling fluid flow using different governing equations developed by implementing the pseudo-steady state and transient models of transfer functions with parabolic and hyperbolic conditions within the fracture and rock-matrix has been discussed in detail. Numerical results suggest that the drainage of fluid from the rock-matrix to the fracture and thus the estimation of its fluid recovery from the reservoir are overestimated in a typical coupled fracture-matrix system using conventional parabolic dominant fluid flow equation. It has been further observed that among the hyperbolic and parabolic dominant mathematical models used to describe the fluid flow through fracture, the recent model proposed by the first author, which is associated with the rate limited fluid mass transfer term within the low permeable rock-matrix yields a significantly varying pressure distribution with reference to the rest of the cases. It is also observed that the resultant pressure distribution within a coupled fracture-matrix system is independent of the pseudo-steady state transfer or transient transfer function, which is used for modeling the fluid interaction at the fracture-matrix interface. © 2018 Elsevier B.V.

关键词： Numerical models

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VISUALIZATION OF STEAM DISPLACEMENT OF HEAVY OILS IN A HELE-SHAW CELL

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FUEL 1992年第12期71卷 1465-1471页

作者： KONG, X HAGHIGHI, M YORTSOS, YC Petroleum Engineering Program Department of Chemical Engineering University of Southern California Los Angeles CA 90089-1211 USA

Experimental visualization of steam injection was performed at low pressure in a transparent Hele-Shaw cell. Synthetic (Dutrex 739) and natural heavy oils were displaced by steam under a variety of conditions. The results demonstrate the significant interplay between steam injection, steam condensation, viscous fingering, heat transfer, gravity and steam distillation effects. The experiments reveal that steam fronts may be neither smooth nor flat, but undergo constant rearrangements as a result of condensation and injection. These dynamics are substantially different from typical immiscible displacement processes. The injected steam was generally found to follow the path of the condensed water. The latter set the general displacement pattern, which was highly fingered. Also identified was a rather unusual viscoelastic response of the displaced heavy oils. Although novel and interesting, these results should be extrapolated with care to account properly for field effects of heat losses.

关键词： STEAM INJECTION HEAVY OILS HELE-SHAW CELLS

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Correction: Materials laboratories of the future for alloys, amorphous, and composite materials (MRS Bulletin, (2025), 50, 2, (190-207), 10.1557/s43577-024-00846-y)

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MRS Bulletin 2025年 1-2页

作者： Banerjee, Sarbajit Meng, Y. Shirley Minor, Andrew M. Zhang, Minghao Zaluzec, Nestor J. Chan, Maria K.Y. Seidler, Gerald McComb, David W. Agar, Joshua Mukherjee, Partha P. Melot, Brent Chapman, Karena Guiton, Beth S. Klie, Robert F. McCue, Ian D. Voyles, Paul M. Robertson, Ian Li, Ling Chi, Miaofang Destino, Joel F. Devaraj, Arun Marquis, Emmanuelle A. Segre, Carlo U. Liu, Huinan H. Yang, Judith C. Momeni, Kasra Misra, Amit Abdolrahim, Niaz Medvedeva, Julia E. Cai, Wenjun Sehirlioglu, Alp Dizbay-Onat, Melike Mehta, Apurva Graham-Brady, Lori Maruyama, Benji Rajan, Krishna Warner, Jamie H. Taheri, Mitra L. Kalinin, Sergei V. Reeja-Jayan, B. Schwarz, Udo D. Simon, Sindee L. Brown, Craig M. Department of Chemistry and Department of Materials Science & Engineering Texas A & M University College Station United States Pritzker School of Molecular Engineering The University of Chicago Chicago United States Department of Materials Science & Engineering University of California Berkeley Berkeley United States National Center for Electron Microscopy Molecular Foundry Lawrence Berkeley National Laboratory Berkeley United States Center for Nanoscale Materials Argonne National Laboratory Lemont United States Department of Physics University of Washington Seattle United States Department of Materials Science & Engineering The Ohio State University Columbus United States Department of Mechanical Engineering and Mechanics Drexel University Philadelphia United States School of Mechanical Engineering Purdue University West Lafayette United States Department of Chemistry University of Southern California Los Angeles United States Department of Chemistry Stony Brook University The State University of New York Stony Brook United States Department of Chemistry University of Kentucky Lexington United States Department of Physics University of Illinois at Chicago Chicago United States Department of Materials Science & Engineering Northwestern University Evanston Bangladesh Department of Materials Science & Engineering University of Wisconsin–Madison Madison United States Department of Materials Science and Engineering University of Pennsylvania Philadelphia United States Department of Mechanical Engineering and Materials Science Duke University Durham United States Department of Chemistry Creighton University Omaha United States Physical and Computational Sciences Directorate Pacific Northwest National Laboratory Richland United States Department of Materials Science & Engineering University of Michigan–Ann Arbor Ann Arbor United States Department of Physics Illinois Institute of Technology Chicago United States Department of Bioengineering and the Mater

This article was updated to correct Minghao Zhang’s affiliation from "Pritzker School of Molecular engineering, The University of Chicago, Chicago, USA" to "Pritzker School of Molecular engineering, The University of Chicago, Chicago, USA;Argonne National Laboratory, Lemont, USA." Argonne National Laboratory was left off the original publication. © The Author(s) 2025.

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Lessons learned from coreflood experiments with surfactant-polymer and alkali-surfactant-polymer for enhanced oil recovery

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petroleum 2023年第4期9卷 487-498页

作者： Ivan Kurnia Muhammad Fatchurrozi Riyaz Ghulam Anwary Guoyin Zhang Reservoir Engineering Research Group Institut Teknologi BandungIndonesia Petroleum Engineering Undergraduate Study Program Institut Teknologi BandungIndonesia Petroleum Recovery Research Center New Mexico TechUnited States

A review of coreflood experiments for chemically enhanced oil recovery(EOR)is presented in this paper,particularly surfactant-polymer(SP)and alkali-surfactant-polymer(ASP)*** objective of this review is to gain a general outlook and insight from coreflood experiments injecting SP or ASP slug as tertiary *** discussion is separated into sections based on relevant core and fluid properties as well as surfactant selection and SP/ASP slug design and their impact on incremental *** studies in this review have been published within the last twenty years but few older coreflood works have been included for *** in each reviewed study have been summarized in tables to help readers gain detailed *** learned from these past experiments should help other chemical EOR practitioners or students of the field in benchmarking or improving the outcomes of their future SP/ASP experiments.

关键词： Enhanced oil recovery Surfactant Polymer Alkali Coreflood

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Modelling of mineral precipitation in fractures with variable aperture

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ISH Journal of Hydraulic engineering 2017年第2期23卷 203-211页

作者： Patwardhan, Samarth D. Singh, Deepak Abhishek, Rockey Suresh Kumar, Govindarajan Petroleum Engineering Program Department of Ocean Engineering Indian Institute of Technology–Madras Chennai India Petroleum Engineering Department M.I.T. Pune Savitribai Phule University Pune India

Fractures act as a highly permeable conduit for flow in naturally fractured reservoir. Geo-chemical reactions inside fractures may lead to partial or complete filling of pore spaces inside fractures over time. This reduction in fracture aperture directly affects its capability to transport fluid. The current study presents a 1-D mathematical model to simulate the geochemical filling of natural fractures. The fracture walls have been represented by simple mathematical functions to reflect variable aperture of natural fractures. Mass transfer through convection/diffusion and mineral precipitation due to precipitation/dissolution reaction were solved as a simplified mathematical representation of the actual processes. Precipitation reaction is coupled with mass transport by the fluid to ensure mass conservation of reacting components. For simplification, calcite precipitation in fracture has been modelled. The effect of pressure drop, diffusion constant, type of fracture aperture profile on evolution of fracture aperture was simulated in this study. Comparison is made between increasing, decreasing and constant fracture profiles to understand their effect on fracture evolution. This study aims to present a methodology to model variable fractures and study its effect on deposition inside the fracture. The model shows that the simple parallel model over predicts the precipitation that occurs in a fracture. © 2016 Indian Society for Hydraulics.

关键词： Filling

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Novel robust Elman neural network-based predictive models for bubble point oil formation volume factor and solution gas–oil ratio using experimental data

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Neural Computing and Applications 2024年第23期36卷 14503-14526页

作者： Kohzadvand, Kamyab Mahmoudi Kouhi, Maryam Ghasemi, Mehdi Shafiei, Ali Tehran Iran Petroleum Engineering Program School of Mining and Geosciences Nazarbayev University Astana010000 Kazakhstan

Bubble point oil formation volume factor (Bob) and solution gas–oil ratio (Rs) are two crucial PVT parameters used for modeling and volumetric calculations in petroleum industry. They are usually determined in laboratory or estimated using empirical correlations. Experimental methods are time-consuming and expensive where empirical correlations have limitations. Artificial intelligence can be sued overcome these limitations to develop more accurate, robust, and quick predictive tools. In this paper, we used three artificial neural network algorithms to develop intelligent models to predict Bob and Rest using 465 experimental data. Application of the Elman neural network (ENN) for this purpose is being reported for the first time. A variety of input parameters were selected based on a sensitivity analysis which include reservoir temperature (T), oil API gravity (°API), bubble point pressure (Pb), gas-specific gravity (γg), and Rs was used to predict the Bob. T, °API, Pb, γg, and Bob was used to predict the Rs. The ENN model was found superior to the other developed smart models and the empirical correlations with coefficient of determination (R2) of 0.993, root mean square error (RMSE) of 0.0093, and average absolute percent relative error (AAPRE) of 0.93% for the Bob and 0.999, 0.016, and 6.72% for the Rs, respectively. The ENN network has fewer adjustable parameters and provides faster training capabilities using fewer neurons and hidden layers compared to other ANN algorithms. The developed smart predictive tools can be safely used instead of laboratory methods and empirical correlations for a much wider ranges of input parameters and with higher accuracy and confidence. © The Author(s), under exclusive licence to Springer-Verlag London Ltd., part of Springer Nature 2024.

关键词： Mean square error

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