Lab Members

Jen Wilcox

Jen Wilcox, Assistant Professor  

Department of Energy Resources Engineering, Stanford University

Understanding the transport and fate of trace metals (mercury, arsenic, and selenium) released from coal combustion or gasification processes; quantum mechanical-based modeling coupled with direct experimental measurements using a custom-built electron ionization quadrupole mass spectrometer; sorbent testing for carbon capture; adsorption studies of CO2 on coal and gas shales; membrane design for N2 and H2 separations.
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Simona Liguori

Dr. Simona Liguori, Research Assistant  

Department of Energy Resources Engineering, Stanford University

Highly pure H2 production via metallic membrane reactor by exploiting renewable sources and fossil fuels; CO2 separation by polymeric membranes; N2-selective membranes for enhancing CO2 capture and producing ammonia; optimization of membrane processes.
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Chun-Yaung Lu

Dr. Chun-Yaung (Albert) Lu, Research Assistant  

Department of Energy Resources Engineering, Stanford University

Molecular modeling of wetting, diffusion, and transport processes in fluid/clay systems; dynamical modeling of hydrogenation/dehydrogenation processes in Mg and related H2 storage materials; materials property prediction using first-principles calculations and cluster expansion method; development of accelerated molecular dynamics simulation methodologies.
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Peter Psarras

Dr. Peter Psarras, Postdoc  

Department of Energy Resources Engineering, Stanford University

DFT calculations for assessing N2 permeability in Group 5 metals and their alloys, with application to nitrogen-selective membranes for indirect CO2 capture; GCMC simulations of CO2/CH4 adsorption in N-functionalized carbon pores, with application to enhanced coal bed methane recovery and CO2 sequestration.
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Vikram Vishal

Dr. Vikram Vishal, Fulbright Visiting Scholar  

Department of Energy Resources Engineering, Stanford University

Geomechanical characterization of reservoir rocks; carbon dioxide permeability of coal and shale at multiple downhole conditions; gas adsorption isotherm measurements using Rubotherm microbalance at low and high pressures; multiphase CO2 flow and sorption behavior; pore size distribution and pore structures in shale.
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Bryce Anzelmo

Bryce Anzelmo, PhD candidate  

Department of Energy Resources Engineering, Stanford University

Hydrogen flux measurements using combined metallic membrane reactor; coupling membrane reactor with H2 internal combustion engine for on-board CO2 capture.
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Jiajun He

Jiajun He, PhD candidate  

Department of Energy Resources Engineering, Stanford University

Material testing and characterization of sorbents for CO2 capture; influence of acid gases on CO2 sorption rates and sorbent capacities; GCMC simulations to estimate material capacities and predict mechanisms of adsorption.
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Ji-Eun Jung

Ji-Eun Jung, PhD candidate  

Department of Energy Resources Engineering, Stanford University

DFT calculations of trace metal uptake on mineral oxide nanoparticles emitted from coal combustion processes; Relationship of particle size and chemistry to health effects; Surface characterization experiments using SEM and XAS techniques.
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Kyoungjin Lee

Kyoungjin Lee, PhD candidate  

Department of Energy Resources Engineering, Stanford University

Trace metal oxidation experiments and DFT calculations across precious-metal catalysts; N2-selective membrane experiments for carbon capture.
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Mengyao Yuan

Mengyao Yuan, PhD candidate  

Department of Energy Resources Engineering, Stanford University

Nitrogen-selective membrane for CO2 capture and ammonia synthesis applications; optimization of membrane process to minimize energy requirements with desired % CO2 capture and purity; nitrogen flux measurements using a high-temperature membrane reactor coupled with a mass spectrometer with ppm-level sensitivity.
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Praveen Kaur Bains

Praveen Kaur Bains, MS candidate  

Department of Energy Resources Engineering, Stanford University

Using geographic information systems (GIS) to map CO2 sources to sinks within the USA; minimum work and cost of CO2 capture from industrial sources; CO2 utilization.
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Panunya Charoensawadpong

Panunya (Belle) Charoensawadpong, MS candidate  

Department of Energy Resources Engineering, Stanford University

Carbon capture and sequestration; CO2 utilization for enhanced oil recovery (EOR, EGR, ECBM); geostatistical information system (GIS) mapping CO2 emission source to sink.
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Randall Holmes

Randall Holmes, MS candidate  

School of Engineering, Stanford University

Shale characterization experiments to determine pore size distribution, surface area, and pore structure with applications to enhanced natural gas recovery and potential CO2 storage; kerogen isolation experiments combined with kerogen characterization to determine the relative roles of clay versus kerogen in gas storage and transport properties; molecular simulation using GCMC to determine gas density estimates in micro and mesopores of complex porous media.
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Mahnaz Firouzi

Dr. Mahnaz Firouzi, Research Assistant (Affiliated)  

Department of Energy Resources Engineering, Stanford University

Modeling of CO2 capture and storage; molecular modeling of structure and transport of fluids in organic-based systems; adsorption isotherm; characterization of coal, gas shale, and activated carbon; fundamental study of transport and separation process of fluid mixtures in nanoporous membranes using molecular dynamics simulations.
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Dawn Geatches

Dr. Dawn Geatches, Postdoc (Affiliated)  

Science and Technology Facilities Council, UK

DFT calculations of clay systems including interactions with CO2, methane, and water based upon ab initio thermodynamics; applications to gas adsorption in clays of gas shale rocks.

Dong-Hee Lim

Dr. Dong-Hee Lim, Assistant Professor (Affiliated)  

Chungbuk National University, South Korea

Investigation of CO2 reduction across catalytic defective graphene-supportive nanoparticles (Ni, Fe, and Al) from electronic structure calculations using DFT; mercury oxidation across gold and palladium catalysts from first-principles; cluster expansion for phase diagram prediction of nanohydride systems.

Yangyang Liu

Dr. Yangyang Liu, Research Engineer (Affiliated)   

BP

Electronic structure calculations of modeled natural systems such as coal and shale using density functional theory; methane, carbon dioxide, and water adsorption using Grand Canonical Monte Carlo coupled with DFT to determine adsorption mechanisms and capacities of natural systems, in addition to role of CO2 in enhanced natural gas recovery processes.