相关论文: Flow-electrode capacitive deionization enables con…
Electrochemically mediated selective adsorption is an emerging electrosorption technique that utilizes Faradaically enhanced redox active electrodes, which can adsorb ions not only electrostatically, but also electrochemically. The superb…
Using porous electrodes containing nickel hexacyanoferrate (NiHCF) nanoparticles, we construct and test a device for capacitive deionization in a two flow-channel device where the intercalation electrodes are in direct contact with an…
The development of energy and infrastructure efficient water purification systems are among the most critical engineering challenges facing our society. Water purification is often a multi-step process involving filtration, desalination,…
Water scarcity is a dilemma facing much of the global population. Cation intercalation desalination (CID) cells, which use intercalation host compounds (IHCs) in combination with ion-exchange membranes (IEMs), could aid in addressing this…
This study introduces a novel iron-based gas diffusion electrode-photocatalytic system aimed at enhancing the degradation of phenolic compounds in wastewater. Phenolic compounds are toxic environmental pollutants with significant resistance…
Electrodes composed of activated carbon (AC) particles can desalinate water by ion electrosorption. To describe ion electrosorption mathematically, accurate models are required for the structure of the electrical double layers (EDLs) that…
Supercritical water desalination (SCWD) is an alternative zero-liquid discharge desalination technique that can overcome many technical and environmental challenges in common desalination processes. Our recent techno-economic analyses on…
Electrochemical desalination devices that use redox-active cation intercalation electrodes show promise for desalination of salt-rich water resources with high water recovery and low energy consumption. While previous modeling and…
We show that sustainably harvesting 'blue' energy from the spontaneous mixing process of fresh and salty water can be boosted by varying the water temperature during a capacitive mixing process. Our modified Poisson-Boltzmann calculations…
Surfaces are able to control physical-chemical processes in multi-component solution systems and, as such, find application in a wide range of technological devices. Understanding the structure, dynamics and thermodynamics of non-ideal…
We propose an efficient simulation algorithm based on the dissipative particle dynamics (DPD) method for studying electrohydrodynamic phenomena in electrolyte fluids. The fluid flow is mimicked with DPD particles while the evolution of the…
Accurate calculations of electrostatic potentials and treatment of substrate polarizability are critical for predicting the permeation of ions inside water-filled nanopores. The {\it ab initio} molecular dynamics method (AIMD), based on…
Electrochemical CO2 reduction offers a method to use renewable electricity to convert CO2 into CO and other carbon-based chemical building blocks. While nearly all studies rely on a CO2 feed, we show herein that aqueous bicarbonate…
Nitrate is an important pollutant in drinking water worldwide, and a number of methods exist for the removal of nitrate from water including ion exchange and reverse osmosis. However, these approaches suffer from a variety of disadvantages…
We present the coupling of two frameworks -- the pseudo-open boundary simulation method known as constant potential Molecular Dynamics simulations (C$\mu$MD), combined with QMMD calculations -- to describe the properties of graphene…
Fluoroethylene carbonate (FEC) shows promise as an electrolyte additive for improving passivating solid-electrolyte interphase (SEI) films on silicon anodes used in lithium ion batteries (LIB). We apply density functional theory (DFT), ab…
Shock electrodialysis is a recently developed electrochemical water treatment method which shows promise for water deionization and ionic separations. Although simple models and scaling laws have been proposed, a predictive theory has not…
The electro-Fenton (EF) process using a boron-doped diamond (BDD) anode and a carbon cloth air-diffusion cathode was optimized for efficient fipronil degradation. The system achieved high H2O2 electrogeneration with close to 80% current…
We demonstrate the phenomenon of induced-charge capacitive deionization (ICCDI) that occurs around a porous and conducting particle immersed in an electrolyte, under the action of an external electric field. The external electric field…
Carbonated water flooding (CWI) increases oil production due to favorable dissolution effects and viscosity reduction. Accurate modeling of CWI performance requires a simulator with the ability to capture the true physics of such process.…