GEOC Programming: ACS Spring 2021 Meeting
Macromolecular Chemistry: The Second Century
April 5-16 | Virtual
Time zone: Pacific Daylight Time (US and Canada)
Broadcast presentations through a virtual platform
Geochemistry Division Program
40 Years of High‐Resolution NMR Spectroscopy of Inorganic Solids
Oral Presentations: Monday (4/5) 9:00-3:35 pm PDT
Karl Mueller
Solids, surfaces, computers, and pencils: Targets and tools for solid‐state NMR
Mark E Smith
29Si and 27Al magic angle spinning NMR of oxynitride ceramics
Ian Farnan
High‐resolution nuclear magnetic resonance of highly radioactive solids: strategies and applications in radiation damage
Danielle Laurencin
Unraveling the structure and reactivity of interfacial oxygen sites thanks to oxygen‐17 mechanochemical labeling and high resolution NMR
Chia‐Hsin Chen
17O isotopic labeling of silica and titania using mechanochemistry: an investigation of enrichment mechanisms
Ieva Goldberga
Oxygen‐17 isotopic enrichment of calcium oxalate monohydrate phase
Eric Walter
In Situ Investigations of geochemical, extremophile and catalytic systems by high pressure: high temperature MAS‐NMR
Geoffrey Bowers
Linking NMR spectroscopy and computational molecular modeling to understand layer structure material
Sophia Hayes
29Si chemical shift tensors: From NMR experiments to computational prediction
Jorgen Skibsted
29Si and 27Al MAS NMR studies of Portland cements and zeolites
Mattias Eden
Solid state NMR and molecular dynamics simulation studies of phosphoserine‐doped calcium phosphate cements with bone‐adhesive properties
Christian Bonhomme
Hydroxyapatite revisited by DNP and spin diffusion: Natural abundance 43Ca DNP MAS and ultra high magnetic field (35T) 43Ca experiments, modeling and new mathematical treatment of dynamic nuclear polarization process
Oral Presentations: Tuesday (4/6) 9:00-11:50 am PDT
Pierre Florian
Getting the most information from the worst resolution: NMR of disordered solids
Cesar Leroy
In‐depth atomic‐scale structure and surface acidity description of aluminum oxide layers by ssNMR and DNP SENS spectroscopies
Randall Youngman
Enabling glass‐ceramic research with NMR
Hellmut Eckert
The glassy part of glass ceramics: Structural insights from solid state NMR
Brian Phillips
Insights from NMR spectroscopy on the diversity of boron defects in calcite
Yining Huang
High‐resolution SSNMR: Insights into the structure and chemistry of metal‐organic frameworks
Philip Grandinetti
Statistical earning of NMR tensors from 2D Si‐29 isotropic/anisotropic correlation nuclear magnetic resonance spectra of silicate glasses
Molecular Processes at Mineral‐Water Interfaces
Oral Presentations: Tuesday (4/6) 1:00-4:00 pm PDT
Marie Gaigeot
Silica‐water interfaces as a good platform/playfield for revealing hydrophilic to hydrophobic structural order of interfacial water
Jing Zhang
Multi‐technique approach on the adsorption of mono‐ and poly‐vanadate (V(V)O 3‐) onto hematite
Sang Soo Lee
Salinity dependent evolution of the electrical double layer at the muscovite (001) water interface Intermission
Ian Bourg
Dielectric spectra of water in charged clay interlayer nanopores
Somaiyeh Dadashi
Influence of the spatially heterogeneous charge distribution on A2l O3 (0001) on the interfacial organization of acetonitrile‐water mixtures
Bijoya Mandal
Probing the interfacial solvent environment by measuring the vibrational lifetime of SCN‐at the Al2O3 (0001)‐aqueous interface
Oral Presentations: Wednesday (4/7) 9:00-3:55 pm PDT
Susan Rempe
Differentiating aqueous halide ions, locally: F, Cl, Br, I
Jacquelyn Bracco
Cation sorption at the barite (001)‐ and (210)‐water interfaces
Inva Braha
Pb desorption at the barite (001)‐water interface
John Bargar
Importance of organic matter as a control over U(IV)‐ and Pb(II)‐surface interactions in natural sediments
Evert Elzinga
Trace metal sorption by green rust: Macroscopic and spectroscopic analyses
Elizabeth Tomaszewski
Organic matter adsorption and fractionation to ferrihydrite under different salinity conditions
Alon Rabinovich
Effect of phenolic organics on struvite precipitation from simulated dairy wastewater
Sebastien Kerisit
Molecular‐scale controls on heterogeneous nucleation and growth at mineral‐water interfaces
Peng Yang
Enhanced selenate uptake by lead co‐sorption at the barite (001)‐water interface
Ruiyu Wang
On the role of Alumina in the origin of life: Surface driven assembly of amino acids
Alicia Schuitemaker
Atomic structure and dynamics at the calcium carbonate (CaCO3) vaterite water interface
Anshuman Satpathy
U(VI) reduction by structural iron(II) present in montmorillonite
Logan Augustine
DFT + thermodynamics method to study inner‐sphere adsorption occurring at the mineral‐water interface
Poster Presentations: Wednesday (4/21) 9:00-10:00 am Pacific Time
Anand Kumar
Aqueous alteration of potassium‐rich feldspar and effects on its ice nucleation ability
Alicia Moya
Carbonate rocks reactivity across scales: elucidating the role of biominerals
Abhishek Soni
Heterogeneous ice nucleation on the muscovite mica surface
Anita Sanchez
Sorption of methylated arsenic onto mackinawite (FeS)
Ruiyu Wang
Water hydrophilic behavior at aqueous/alumina interfaces
Fundamental Reactions Driving Macroscopic Geochemical Processes
Oral Presentations: Thursday (4/8) 9:00-3:45pm PDT
Paul Fenter
Understanding extrinsic controls to mineral water interfacial reactivity
Alejandro Fernandez‐Martinez
Probing the structure and reactivity of iron and aluminum minerals towards rare earth elements in acid mine drainage
Eric Ferrage
Upscaling strategies for the analysis of water diffusion in clay porous media
David Cole
Nanopore confinement of C‐H‐O mixed‐volatile fluids relevant to subsurface energy systems
Alexis Navarre‐Sitchler
Connecting the dots between fluid transport, physical heterogeneity, and the lab‐field dissolution rate discrepancy
Anthony Ladd
Evolution of grain shapes by dissolution: Validation and upscaling of pore‐scale simulations
Hang Deng
Multi‐scale investigation of the dynamic evolution of mineral coating
Xin Gu
Investigating weathering in shale across scales by tracking pseudomorphic transformation of pyrite
James Kubicki
Density functional theory modeling of Ba2+ and SO 2‐ adsorption onto the quartz (101) surface
Lawrence Anovitz
Frustrated coulombic and cation size effects on boehmite aggregation: a tumbler small‐ and ultra‐small angle neutron scattering study
Li Li
From pores to watersheds: reactions at interfaces
Narasimhan Loganathan
Interaction of natural organic matter with smectite mineral surfaces: A combined experimental and simulation study
Emily Wei‐Hsin
Sun Molecular dynamics simulations of water thin films, contact angles, and capillary pressure in a quartz nanopore in the presence of CO2 and organic molecules
Juliane Weber
The influence of microstructure on mineral dissolution‐reprecipitation: The model systems of CaCO3‐CaMg(CO3)2 and CaCO3‐FeCO3
YoungJae Kim
Replacement of calcium carbonate polymorphs by cerussite
Poster Presentations: Wednesday (4/21) 9:00-10:00 am Pacific Time
Matthew Siebecker
Experimental redox kinetics of nanoparticulate manganese oxide (MnO2) and dissolved organic carbon: UV‐Vis study
Erin Berns
Proton: Binding model to simulate pH buffering in Arctic tundra soils
Biogeochemical Transformation in the Underground Environment – Natural Processes and Engineered Implementations for Contaminant Abatement
Oral Presentations: Friday (4/9) 9:00-4:00pm PDT
Matthew Ginder‐Vogel
Impact of dissolved organic matter on phenolic contaminant oxidation by manganese oxides
Matthew Berens
Assessment of 2,4‐Dinitroanisole transformation using compound specific isotope analysis after in situ chemical reduction of iron oxides
Kevin Hickey
Modeling the reduction of nitroaromatics and munition constituents by humic acid using quantum chemically computed reaction energies and quinone‐like functional groups
Arata Katayama
Alternate functionality of humin, a solid‐phase humic substance, as extracellular electron mediator in carbon dioxide‐reducing acetogenesis
Merritt Logan
Ultrahigh resolution mass spectrometry analysis of organic nitrogen released upon permafrost thaw
Holly Roth
Impact of beaver ponds on biogeochemical cycling of organic nitrogen within a fire‐impacted watershed
William Bahureksa
Wildfire severity impacts on chemical transformation of soil organic carbon and nitrogen
Samantha Fuchs
Geochemical and geomechanical alteration by acidic brine of artificially fractured sandstone under strain
Maedeh Soleimanifar
Utilization of cerium oxide and neodymium oxide nanoparticles by Methylobacterium extorquens (ATCCÂ 14718)
Poster Presentations: Wednesday (4/21) 9:00-10:00 am Pacific Time
Danhui Xin
Comparison of mediated electrochemical analysis and chemical redox titration for measuring the electron storage capacity of biochar
Reactive Transport Modeling: A Cutting‐Edge Tool for Investigating Coupled Processes
Oral Presentations: Friday (4/9) 1:00-4:00pm PDT
Young‐Shin Jun
Reactive transport modeling to decipher dissolution and nucleation at the interface of supercritical CO2‐brine‐cement
Sergi Molins
Expanding the role of pore‐scale reactive transport models to capture the multiscale evolution of fractured media
Qian Zhang
Investigation of reactive transport processes in a fractured dolostone via multi‐scale simulations
Lauren Beckingham
Improving understanding of mineral reaction rates and permeability evolution in porous media
Olubukola Ishola
Application of machine learning to predict hydraulic tortuosity of highly heterogeneous porous media
Vitalii Starchenko
Mineral precipitation in porous media: Quantification of X‐ray tomography data and pore‐scale reactive transport simulations
Adedapo Awolayo
Investigation of accessible reactive surface area for improved prediction of CO2 mineralization in basaltic aquifer rocks
Hang Wen
Climatic controls on organic carbon transformation and transport at the hillslope scale
Andrew Freiburger
A PHREEQC simulation of scaling during RO desalination
Mengnan Li
Higher‐order finite element multiphase reactive transport model for unstructured and fractured grids: benchmark studies, scaling analysis, and applications to CO2 sequestration
Poster Presentations: Wednesday (4/21) 9:00-10:00 am Pacific Time
Ecenur Bulur
Transport‐reaction modeling of particulate organic matter dynamics in riverbed sediments
Interfacial Reactions under Nano‐scale Confinement
Oral Presentations: Monday (4/12) 9:00-4:00pm PDT
Sophie Le Caer
Confined water in aluminosilicate nanotubes: Structure, dynamics and the importance of charge separation effects upon irradiation
Sylvie Roke
The interfacial structure of water under confinement
Ian Bourg
Coupled fluxes of water and ions (NaCl) during flow through silica nanopores
Yaguang Zhu
Solution pH in nanopores is controlled by ionic surface propensities
Ward Thompson
Dynamics and spectroscopy of liquids in nanoscale amorphous silica pores
Vicki Grassian
Interfacial reactions involving thin films of particles
Sebastien Kerisit
Diffusion controls on divalent metal silicate carbonation in confined water films
Ke Yuan
Understanding the nucleation and growth of barite by optical microscopy and X‐ray nanotomography
John Loring
Low temperature magnesite growth during forsterite carbonation in thin H2O films
David Cole
Probing the olivine‐water interface: Experimental and molecular simulation perspectives
Crystallization Pathways: New Perspectives on Nucleation, Growth & Dissolution of Natural & Synthetic Materials
Oral Presentations: Tuesday (4/13) 9:00-12:00pm PDT
Katherine Hull
Insights on shale iron leaching and secondary mineral crystallization through phase and morphology analysis
Maria Meza
Determination of solubility constants and thermodynamic variables for uranyl arsenate solids containing monovalent cations sodium (Na) and potassium (K)
Ian Bourg
Adsorption and aggregation of soil organic matter at the clay‐water interface
Bart Kahr
Helicoidal Growth and Charge Transport
Maria Sushko
Role of interfacial structure and dynamics in driving non‐classical crystallization
Tyler Schmidt
Metadynamics simulations of ion detachment from calcite (104)
Kristen Fichthorn
Kinetics of halide‐mediated Cu nanowire growth
Poster Presentations: Wednesday (4/21) 9:00-10:00 am Pacific Time
Connor Schmidt
Mesoscale structure of Ediacaran and synthetic dolomite spherulites
Yi Ren
Effects of pH on immersion freezing by kaolinite
Michela La Bella
Diffraction: tomography investigations on the hydration of gypsum plaster
Interfacial Reactions under Nano‐scale Confinement
Oral Presentations: Tuesday (4/13) 9:00-11:55am PDT
Laura Fumagalli
Direct measurement of the anomalously low dielectric constant of confined water
Derk Joester
Crystallization Kinetics of Amorphous Carbonates in Confinement
Young‐Shin Jun
Calcium phosphate’s nucleation kinetics and energy barrier in nanoscale confined organic spaces
Kevin Leung
Interplay of physically different properties leading to challenges in separating lanthanidecations ‐‐ an Ab Initio molecular dynamics and experimental study
Tina Nenoff
In situ PDF/DRIFTS Study of the role of water in Ag particle formation in zeolites
Anastasia Ilgen
Adsorption of lanthanides at nanoconfined silica and alumina‐water interfaces
Crystallization Pathways: New Perspectives on Nucleation, Growth & Dissolution of Natural & Synthetic Materials
Oral Presentations: Tuesday (4/13) 1:00-3:35pm PDT
R Lee Penn
Formation, growth, dissolution, and transformation of nanoparticles in reactive liquid media
Guomin Zhu
Self‐similar mesocrystals form via interface‐driven nucleation and assembly
Michel Sassi
Structure and composition of ferrihydrite nanoparticles from Ab Initio thermodynamics
Alireza Namayandeh
System chemistries control the formation and transformation kinetics of Fe13 like clusters
Si Chen
Observation and synthesis of exceptionally Fe‐deficient "hydrohematite" and "hydrogoethite"
Young‐Shin Jun
Nucleation kinetics and thermodynamics of iron(III) (hydr)oxide nanoparticles forming on quartz
Interfacial Reactions under Nano‐scale Confinement
Oral Presentations: Tuesday (4/13) 1:00-1:50pm PDT
Jeffery Greathouse
Synergistic effects of nanoconfinement and surface charge on iron adsorption on mesoporous silica
Michael Whittaker
Dynamic clay microstructures emerge via ion complexation waves at the mineral interface
Crystallization Pathways: New Perspectives on Nucleation, Growth & Dissolution of Natural & Synthetic Materials
Oral Presentations: Wednesday (4/14) 9:00-11:45am PDT
Xin Zhang
Unravel particle‐mediated crystallization pathways via using advanced transmission electron microscopy techniques
Qian Chen
In‐situ TEM based cinematography to elucidate crystallization pathways at the nanoscale
F. Marc Michel
Impacts of initial Ca/P on the formation and transformation of amorphous calcium phosphate
Rogier Besselink
High energy X‐ray Scattering revealing the short‐range order of a metastable proto‐CSH phase and its implications on cement nucleation
Yarong Qi
Role of organic foulants on the kinetics of silica scaling: Behavior and mechanisms
Andrew Lauer
Multi‐step nucleation in strontium sulfate: Reaction mechanisms and a hemihydrated precursor
General Geochemistry
Oral Presentations: Wednesday (4/14) 9:00-11:20am PDT
Qian Wang
Dynamic transformation of phosphorus and nitrogen during hydrothermal treatment (HT) of sewage sludge and resource recovery from HT process water
Chelsea Neil
Effects of water saturation on noble gas diffusion through zeolitic tuff
Hasini Senanayake
Simulations of the IR and raman spectra of water confined in amorphous silica slit pores
Hidemitsu Katsura
The variation of air radiation dose rates from December 2019 to March 2020 inside cabin flights between Tokyo and Singapore or Tokyo and Kuala Lumpur
Yunpo Li
Geochemical indicators in northeastern Pennsylvania groundwater are consistent with natural methane sources
Florence Ling
Modeling CaSiO3‐CO2 reactions and permeability evolution for sealing leakages from geologic carbon storage
Poster Presentations: Wednesday (4/21) 9:00-10:00 am Pacific Time
Samantha James
HF: Free extraction technique of particulate organic matter from sedimentary rocks
Boris Lau
Temperature effects on the interactions of soil organic matter with hematite and goethite: Perspectives on bulk and nano‐scale sorption
Amelia Bunnell
Sample preconcentration and matrix removal via SPE for the determination of dissolved hydrolyzable amino acids in estuarine samples via liquid chromatography tandem mass spectrometry
Reza Khalidy
Geochemical modeling applications and research hot spots ‐ a scientometric and critical review of 2019
Alejandro Briso
A simple geochemical approach to identify scenarios for managing drinking water treatment residuals (DWTRs)
Tiara Ogus
Phosphorus cycling and retention in agriculturally dominated stream ecosystems in semi‐arid Mediterranean climates
Crystallization Pathways: New Perspectives on Nucleation, Growth & Dissolution of Natural & Synthetic Materials
Oral Presentations: Wednesday (4/14) 1:00 - 3:15pm PDT
Yaguang Zhu
Roles of sulfate in the nucleation, growth, and Ostwald ripening of CaCO3 on quartz
Sebastian Mergelsberg
Nucleation of mixed‐cation amorphous carbonate precursors: Example of cadmium in ACC and vaterite
Christian Bonhomme
In situ description of biomineralization processes and pre‐crystalline phases studied by solid state NMR: The study case of hydrated calcium oxalates
Juan Diego Rodriguez‐Blanco
New insights into the mechanisms of bastnäsite formation
Reactivity & Transformation of Manganese Oxides in Natural and Engineering Systems
Oral Presentations: Thursday (4/15) 9:00-3:45pm PDT
Jeffrey Post
Raman spectroscopy identification and characterization of natural and synthetic manganese oxides
Zhenwei Gao
Photochemically‐induced co‐oxidation of Mn2+ and Co2+ and the formation of CoIII‐incorporated MnIV oxides
Young‐Shin Jun
Effects of reactive halogen species on the formation of photochemically‐induced abiotic MnIV oxides
Daniel Strongin
Redox chemistry and structural transformations relevant to birnessite as an electrocatalyst for water oxidation
James Kubicki
Macroscopic and molecular understanding of Np(V) sorption on the birnessite‐water interface
Martial Taillefert
Insights into the mechanism of reduction of manganese oxides by thiols and arsenite
Boyoung Song
Transmission electron microscopy (TEM) investigation of aggregate structures and their impacts on reactivity of manganese oxide mixtures
Matthew Fischel
Kinetics of arsenic oxidation by naturally formed manganese‐oxides
Yuanzhi Tang
Redox cycling driven transformation of layered manganese oxides to tunnel structures
Mengqiang Zhu
Mn(II)‐promoted phase transformation of manganese oxides
Peng Yang
Mn(II)‐driven redox transformation of layered Mn oxides in seawater
Seonyi Namgung
Adsorbed Mn(II) formed Mn oxide nano‐needles on the tip of goethite particles when exposed to oxygen
Jasquelin Pena
The fate of bioavailable carbon sources in presence of manganese oxides
Margaret Hinkle
Trace metal uptake by biogenic manganese oxides with structural variability: Connecting lessons from coal mine drainage remediation and the laboratory
Michael Zdilla
Experimental optimization of layered manganese oxide water‐oxidation catalysts by nano‐level organizational control guided by molecular dynamics and quantum calculation
Amritpal Singh Chaddha
Rock varnish: Potential future product
Poster Presentations: Wednesday (4/21) 9:00-10:00 am Pacific Time
Edwin Rivas Meraz
Remediation of mercury: Contaminated aquatic sediments with manganese(IV) oxide and activated carbon amendments
Engineered Nanomaterials and Synthetic Macromolecules in the Environment: Fate, Behavior, and Effects
Oral Presentations: Friday (4/16) 9:00-10:20am PDT
Eduardo Rodrigues
Uptake and accumulation of cerium oxide nanoparticles, as environmental contaminants, by soybean plants
Rafael Santos
Photodegradation of Quantum Dots: A New Kinetic Model and Significance of Structural Parameters
Pooya Paydary
Concluding Remarks