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G
Reports from Breakout Session Groups
A key component of the Workshop on the Environment was the set of four
breakout sessions that enabled individual input by workshop participants on the
four themes of the workshop: discovery, interfaces, challenges, and infrastruc-
ture. Each breakout session was guided by a facilitator and by the expertise of the
individuals as well as the content of the plenary sessions. Participants were as-
signed to one of four breakout groups on a random basis, although individuals
from the same institution were assigned to different groups. Each breakout group
(color-coded red, yellow, green, and blue) was asked to address the same set of
questions and provide answers to the questions, including prioritization of the
voting to determine which topics the group concluded were most important. After
every breakout session, each group reported the results of its discussion in plenary
session.
The committee has attempted in this report to integrate the information gath-
ered in the breakout sessions and to use it as the basis for the findings contained
herein. When the breakout groups reported votes for prioritizing their conclu-
sions, the votes are shown parenthetically in this section.
DISCOVERY
What major discoveries or advances related to the environment have been
made in the chemical sciences during the last several decades?
158
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APPENDIX G
TABLE G-1 Organization of Breakout Sessions
159
Breakout Session Group Facilitator Session Chair Rapporteur
Discovery Red D. Raber C. Sloane John Westall
Green M. Barteau, M. Barteau, Mitchio Okumura
P. Norling P. Norling
Blue P. Brodsky, P. Brodsky, Israel Wachs
W. Castleman W. Castleman
Black J. Jackiw J. Futrell KristopherMcNeill
Interfaces Red J. Jackiw J. Futrell Kenneth Anderson
Green D. Raber C. Sloane Karl Mueller
Blue M. Barteau, M. Barteau, Heather Allen
P. Norling P. Norling
Black P. Brodsky, P. Brodsky, Brent Shanks
W. Castleman W. Castleman
Challenges Red P. Brodsky, P. Brodsky, Mary Neu
W. Castleman W. Castleman
Green J. Jackiw J. Futrell William Brune
Blue D. Raber C. Sloane Jay Means
Black M. Barteau, M. Barteau, Douglas Ray
P. Norling P. Norling
Infrastructure
Red M. Barteau, M. Barteau, Robert Huie
P. Norling P. Norling
Green P. Brodsky, P. Brodsky, Eric Saltzman
W. Castleman W. Castleman
Blue J. Jackiw J. Futrell Gordon Brown
Black D. Raber C. Sloane Ray Garant
Red Group Report
Enabling Capabilities
Analytical (examples include single particles in the atmosphere, electron-
capture detector, use of synchrotrons for aqueous systems, increased time resolu-
tion for atmospheric measurements)
Modeling (use of correlated chemical measurements to deduce environmen-
tal processes; modeling, from molecular to global; structure-activity relationships
for activity and fate
Technical Solutions
Emission control of lean combustion; catalytic converter; substitutes heavy
metals, CFCs, water-based paints
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160
Discoveries
APPENDIX G
Ozone hole; recognition of importance of speciation vs. total concentration;
understanding of reactions on surfaces and microporous regions
Green Group Report
Tropospheric Chemistry
Chemistry of air pollution, (e.g., photochemical origin of smog; acid rain;
discovery of the relevance of biogenic emissions; aerosol chemistry, formation,
and microphysics)
Stratospheric Chemistry
The ozone hole understanding of ozone chemistry in the stratosphere; het-
erogeneous chemistry in the atmosphere
Models, Databases, Techniques
Recognition of systems approach; generation of databases of kinetics and
energetics; advances in computation; fundamental understanding of chemistry
(free radicals); instrumentation (remote sensing, space based, advances in sensor
technology)
Synthesis: Chemistry to Produce Systems with Minimal Environmental Impact
CFC replacements; PCB replacements; degradable pesticides, polymers;
cleaner fuels; designer compounds
Process Advances
Implementing green chemistry; benign solvents; catalytic converters; engine
efficiency via fundamental understanding; energy; energy storage and efficiency,
photovoltaics; atom economy
Soil and Water Chemistry
Advances in interracial chemistry, biogeochemical cycles; remediation tech-
nology; trace metals; radiation chemistry, radionuclides; hydrophobic compounds
in the environment
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APPENDIX G
Negative Advances
MTBE
Impact of catalytic self-propagating entities
Blue Group Report
Prioritized List
Fundamental chemistry
Analytical instrumentation
Surface chemistry
Genetics
Understanding homogeneous atmospheric chemistry
Black Group Report
Tools
161
Industrial ecology; life-cycle analysis; detection, monitoring, measurement
science (4~; development of noninvasive spectroscopic technology; synchrotron-
based methods, availability and development; application of GC-MS; computa-
tion and modeling (4~; satellite technology (profiles, surface temperature, etc.)
(3)
Technologies
Use of biomass in chemical reactions (instead of petroleum); advances in
membrane science; metabolic engineering of microbes and plants for remediation;
drinking water disinfection and ozonation technologies; three-way catalysts (1~;
emission control technology (3~; use of supercritical CO2 to replace solvents (1)
Risk Assessment
Development of structure-activity relationships; ability to predict risk and
risk-based corrective action (2~; identification of endocrine disrupters and eluci-
dation of risk mechanism
Air Problems
Recognition of particulate matter (4~; heterogeneous atmospheric chemistry
(1~; photochemical modeling; understanding mechanisms of photochemical smog
formation (2~; rise and fall of CFCs; global warming; ozone depletion (3)
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162
Water Problems
APPENDIX G
Groundwater remediation; bioaccumulation and persistent organic pollutants
(2~; detection of pesticides (1~; human and eco-health effects of arsenic and mer-
cury
Soil Problems
Discovery of dioxins
Discovery of PAHs
INTERFACES
What are the major environment-related discoveries and challenges at the
interfaces between chemistry-chemical engineering and other disciplines, includ-
ing biology, information science, materials science, and physics?
Red Group Report
Physics
Scaling of physical and chemical properties with size (10~; instrumentation
and sensor development (10~; application of quantum mechanics to understand
chemical processes (1~; understanding transport coupling with chemistry (2)
Materials
Development of solvents; materials development (3~; new catalysts (1~;
nanomaterials
Mathematics and Information
Statistical handling of data and statistical methods (3~; cyber infrastructure
(data preservation, processing, access) (9~; theory and modeling of scaling (4)
Meteorology and Geology
Trace component behavior (2~; control of pollutant plumes in groundwater
(1~; biogeochemical cycles (10~; aerosol chemistry and clouds (2~; chemical
weather (1~; chemistry-climate links (2~; air pollution processes (1)
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APPENDIX G
Biology
163
Life in extreme environments (21; scale-up of bench- to full-scale processes
(21; application of microbiological biotransformations to industrial processes (21;
conversion from batch to continuous processes (11; bioavailability (41; structure-
activity relationships (81; new enzymes; bioinformatics (41; proteomics and
genomics (4)
Problems and Issues
Professional societies and journals; interdisciplinary and multidisciplinary
education (71; team approach; collaboration between development stages; com-
pleteness of life-cycle analysis (11; stovepiping of funding (21; breaking down
administrative barriers (11; changing the scientific-academic culture (motivation)
(71; reward structure; industry-academic collaboration; communication (lan-
guage) (11; regulation and science (11; instrumentation development; theory and
modeling; education of public and politicians (31; grand challenges must be de-
fined and funded (10)
Green Group Report
The blue group reported its analysis of interfaces as a matrix in which the
rows are a series of environmentally important chemistry and chemical engineer-
ing research areas, and the columns are the other disciplines that will participate
in the research activity (Table G-21.
Blue Group Report
Biology (8)
Science (microbial community genomics; microbial in situ bioremediation;
proteomics and metabolomics; PCR and revolutions in microbiology (61; engi-
neering (bioprocessing, biotechnology, combining unit operations) (2)
Physics and Other Engineering (5)
Tools (new instrumentation; measurement systems and platforms; materials
and processes for alternative, nonfossil fuels)
Atmospheric Science (5)
Modeling (chemical weather forecasting; air quality and human health; dis-
persion of chemicals; aerosol and cloud physics)
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164
TABLE G-2 Matnx of Interfaces
APPENDIX G
Hydrology Biology
Computational and Atmospheric and Other
Mathematics Science Geology Science Medicine Engineerir
Advanced
simulations X X X
Multiscale
computing X X X
Dispersion of
chemicals X X
Chemical
weather
forecasting X X
Cloud physics
and aerosols
Air quality and
human health X
Microbial
community
genomics
Proteomics
PCR
microbiology
Climate
questions
Analysis of
high-throughput
datasets X X
Instrumentation
measurement
systems
Microbial
remediation
Bioprocessing
Biotechnology
Chemical
footprint
of society
Nonfossil energy
X
X
X
X
X
X
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APPENDIX G
165
Biology
and
Medicine
Social
Other
Sciences and
Engineering Physics Ecology Oceanography Toxicology Economics
X X
X X
X
X
X X
X
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166
Hydrology, Geology, Oceanography (5)
APPENDIX G
Dispersion of chemicals in groundwater and subsurface water (3~; global
cycling (2)
Ecology (4)
Climate questions (4~; ecotoxicology
Social Sciences (3)
Chemical footprint of society (2~; integrated assessment (1)
Computer Science (2)
Hardware: advanced simulations on high-performance computers; design of
new computer architectures; software: analysis of high-throughput datasets (1)
Mathematics (2)
Multiscale computing (time and space)
Agriculture and Soil Science (11)
Closed-system agriculture (recycle all); precision farming (e.g., using GPC
to improve farming); advances in pesticides, herbicide, and fertilizers; avoiding
agricultural runoff; reducing agricultural footprint (largest impact on the environ-
ment)
Biology (8)
Biochemistry and biocatalysis; (green chemistry); genetic engineering;
genomics and proteomics; epidemiology; effects of contaminants on humans;
biomimetic processes
Earth Sciences (7)
Biogeochemical and Earth systems analysis; mechanisms and impact of natu-
ral contaminants; global cycles; C, N. etc.; subsurface detection and mapping;
ocean ecology; climate; solid waste management; actinides in the environment
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APPENDIX G
Engineering (5)
167
Process monitoring; sensors, spectroscopy, end users; process development
(batch to continuous; throughput); material sciences; bringing chemistry to other
engineering disciplines; systems and life-cycle analysis
Mathematics, Computational Science, Statistics (2)
Bioinformatics (handling huge databases); integration and mining of data
sets (how to use the datasets); modeling
Space Sciences (2)
Remote sensing; recognition of rate of change on Earth; astrophysics (chem-
istry, biology)
Physics (1)
Moving technology out of hands of physicists; green chemistry for micro-
electronics; amorphous systems
All + Other (overarching)
Surface science; analytical techniques applied at the interfaces; integration
with business model (economics); combinational chemistry at the interface with
other disciplines; reduction of wastes
Grand Challenges
Integrated environmental education; exploiting natural remediation process;
agricultural as a closed system; development of renewable energy sources;
development of renewable chemical feedstocks economically; mimicking natural
components
Black Group Report
Technical Solutions
Biochemists, molecular biologists, separation scientists, physicists, material
scientists (big-based approaches; physics and material approaches)
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168
Risk Analysis
APPENDIX G
Medicine and health, social sciences, ecology, economics (health effects;
ecological effects; social and political effects)
State of the Environment
Biologists, computer science, ecologists, meteorologists, instrumentation sci-
entists, physicists (air quality; global warming; water quality; life-cycle analysis;
biogeochemical cycles)
CHALLENGES
What are the environment-related grand challenges in the chemical sciences
and engineering?
Industrial Sustainability (1)
Ionic Liquids
Remediation
Life cycle (1)
Cost-effective methods
Red Group Report
Contaminant Capture or Sequestration (3)
(Physical Chemistry)
CO2; Radioactive waste
Lifecycle of Particulates (2)
Properties and effects on health and climate
Fuel Cells
H2 Economy (2)
Environmental footprint
Biogeochemical Cycle
Role of chemical cycles on climate, greenhouse gases, clouds
Heterogeneous Characteristics of Environmental Materials (e.g., solids) (7)
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APPENDIX G
Characterization of the Organic Composition of the Atmosphere
Sensing techniques; instrumentation
Environmental Change (Indicators) (2)
Traces in ice, trees, sediments; other indicators
Water (5)
Purification; industrial use; desalinization
Toxicity
Identify materials
Computational chemistry (1)
Instrumentation at Trace Levels (6)
Methods that will allow breakthroughs in air sampling
Catalysis by Design (3)
Instrumentation; computation; materials science
Function and Sensitivity of Nonculturable Organisms (1)
Photoinduced Processes
Macromolecular Science (3)
Biological molecules; catalysts; humic
Understanding Chemical Reactivity (7)
Complex processes in atmosphere; water; soil; all of the preceding
Study of Heterogeneous Processes (1)
Diversion of Funding of Core Sciences to Hot Initiatives
Separations (3)
Water purification; dilute solutions; air; bioproducts
Green Group Report
169
Global-Scale Chemistry (11)
Global biogeochemistry; flux measurements; prediction, fate, and transport
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170
APPENDIX G
of pollutants; speciation of all contaminants; chemistry and climate; carbon man-
agement; scaling in time and space; global-scale chemical monitoring
Waste Management (6)
Waste disposal technology; chemical; nuclear; mining; agriculture; animal
residue; carbon sequestration; in situ remediation of contaminated media
Control and Understand Chemical Transformation (6)
Early life-cycle analysis; pollution prevention through alternative chemical
processes; technologies for water conservation; controlled oxidation of organic
molecules; end-to-end chemical production processes
Health effects (1)
Molecular basis for dose-response relationsh
for particulate matter
New Tools (9)
.
ups; quantification of health risks
Better computational tools; acquiring relevant high-quality datasets; en-
hanced analytical capabilities; better models, theory, instrumentation; better ana-
lytical-theoretical tools to understand chemistry at interfaces
Blue Group Report
Fundamental Understanding
Understanding climate and chemical links (11)
· Unraveling mechanisms: chemical reactions and cycles in the environ-
ment
.
and lithosphere
water (7)
Characterization of chemical processes in the atmosphere, biosphere,
Measurement of trace reactive species in atmosphere, ground- and surface
Sensor development for subsurface (e.g., pH, flow, microbial activity, pol-
lutants, metals (6)
Better instruments for monitoring
· Predictive chemical modeling of biological chemistry (4)
· Long-term monitoring and tools, networks (1)
Chemical Approaches to Solutions
Predictive modeling for catalysts and custom-designed enzymes for
bioremediation (10)
Chemical engineering pathways to environmental sustainability (5)
Conversion of solar energy into electrical and chemical energy (renewable) (4)
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APPENDIX G
Transformation of complex agromaterials into advanced products (3)
New materials: designed for recycling (triggerable disassembly) (3)
Conversion of wastes to useful products (2)
Organic reductive chemistry for biorenewable feedstocks (2)
Remediation of mercury (1)
Mimicking natural processes
Using methane and hydrogen sulfide as feedstocks
Black Group Report
Enablers
171
Computing (hardware and software); genomic sciences; nanotechnologies;
materials by design; self-assembly; instrumentation (in situ measurement of pol-
lutants)
Energy
Global warming mitigation; carbon sequestration (6~; economical solar en-
ergy (6~; energy efficiency technologies (2)
Chemical-Organism Interactions
Molecular toxicology (5~; fundamental understanding of microbes/metabolic
pathways "Perry's Handbook for Bugs" (4~; models of exposure effects
Air and Water Issues
Understanding heterogeneous chemistry (4~; the structure of natural organic
matter (2~; air: sources and characterization of toxics (1~; speciation of toxic met-
als (1~; smokestack emissions beyond SOx and NOx (1~; chemical sources of tox-
icity of fine particulate matter (PM2.5) (1~; environmentally persistent free radi-
cals (1~; understanding of greenhouse gases in the atmosphere (carbon cycles and
sinks)
Remediation
Metabolic engineering understanding pathways (3~; economical metal se-
questration methods (3~; dioxins, MTBE (1~; defluorination of fluoroorganics
Green Chemistry, Pollution Prevention
Catalysis by design (7~; solvent-free processes (2~; persistence of chemicals
in the environment (1~; alternative materials structure-function relations (1~;
microreactors just-in-time and local manufacturing (1~; carbon source for
chemicals
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172
Fundamental Understanding
APPENDIX G
Techniques for assessing multisource risk (6~; multimedia multiscale sys-
tems modeling (5~; understanding natural environmental processes (3~; control of
chemical transformation (3~; modeling of episodic events in the climate and envi-
ronment (1~; genetic and proteomic markers
INFRASTRUCTURE
What are the issues at the intersection of environmental studies and the
chemical sciences for which there are structural challenges and opportunities in
teaching, research, equipment, codes and software, facilities, and personnel?
Red Group Report
What's Working Well
Some user facilities such as SSRL, EMSL computational facilities; ACS en-
vironmental chemistry option; green chemistry funding has raised profile (but
may have taken from other environmental programs); multidisciplinary programs
What's Not Working Well ?
EPA: lack of internal coordination and communication; deterioration of scien-
tific facilities; coordination of environmental research effort intra- and interagency;
continuity of funding; user facilities—ease of access; principal investigator reward
structure in national laboratories; lack of emphasis on environmental chemistry
in NSF; initiatives however valuable have come at the expense of core sci-
ences and engineering; lack of overall strategy we are taking away from core to
fund fads; disconnect between graduate research and undergraduate curriculum
Needs
User facility for geosciences (set of field sites); strengthen EPA R&D; an
agency looking at environment over the long term; environmental equivalent of
NIH (i.e., relationship to EPA as NIH is to FDA); educate people with broad-
spectrum knowledge of the environment; curriculum reform to emphasize the
environment; chemical programs to incorporate broad range of topics that are
part of environmental chemistry; continued development of sensors and of instru-
mentation that is deployable in real time (for water); general support for instru-
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APPENDIX G
ment development (as in the medical field); interdisciplinary systems approach-
resources and reward systems
Challenges
173
Inter- and intra-agency coordination; gulf between environmental sciences
and others; market environmental chemistry as NIH does for health; environmen-
tal chemistry not well-regarded compared to "real" chemistry; atmospheric chem-
istry more accepted in academia than condensed-phase studies; if funding pot
doesn't grow, allocation needs to be done smartly
Payoffs
Fundamental lead to prediction; our well-being is at risk and must be ad-
dressed; better use of resources; social and political stability; ability to predict
and plan for environmental change on global scale (could prevent global up-
heaval)
A Final Word...
The environment should not be considered a fad!
Green Group Report
Student training in the environmental area (7)
Tenure process inhibits interdisciplinary collaboration (5)
Insufficient emphasis on classical measurements (5)
Kinetics; thermochemical
Environmental chemistry is not considered a core subject in chemistry and
chemical engineering departments need accreditation (5)
Coordination and interaction of similar programs across federal agencies (4)
Research needs (3)
Aircraft, ships, space
Status of environmental chemistry in universities (e.g., few chemistry de-
partments have major activities in the field) (2)
meets (2)
Transitioning-leveraging: need for engineering expertise to develop instru-
Concepts from researchers; how to implement the design and construction
Need environmental science home in NSF for sustained funding of individual
investigators (2)
Heavy-metal actinide chemistry (expertise is being lost)
Increased NIH funding has put a strain on national centers (computing, spec-
troscopy, etc.) for environmental projects
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74
APPENDIX G
Blue Group Report
There is no single federal agency that is responsible for funding environmen-
tal science. EPA is an environmental regulatory agency! There is a pressing need
for one centralized government agency for funding fundamental science with re-
spect to the environment.
The NSF Science and Technology Centers and Environmental Molecular
Science Institutes and Collaborative Research in Environmental Molecular Sci-
ence Grants Program are small steps toward improved funding in the environ-
mental science research area.
Sustained long-term support for individual investigators in the environmen-
tal chemistry/science area is needed (applies also to technicians and support staff
for research groups.)
Industry is a failure in environmental science R&D area and in providing
attractive jobs for environmental chemistry students ! (Not all in blue group agree
with this statement).
Mechanisms for attracting more young people to environmental science and
the basic sciences are needed. Good jobs are necessary to achieve this need.
Cross-training of students among interdisciplinary areas is lagging far be-
hind need.
Basic science and math training is absolutely essential for students in envi-
ronmental science.
There is only one national facility dedicated to environmental science re-
search (EMSL at PNNL)
Faculty in basic science departments who focus on environmental science
research often have difficulties at tenure decision time because of a general lack
of respect for environmental science research by other scientists.
Physical chemistry is not thriving in modern research universities, yet it pro-
vides the basic underpinnings of environmental chemistry.
Research agendas should be driven in part by societal needs (e.g., human
health), but basic, curiosity-driven research funding must be protected and al-
lowed to thrive.
More scientific expertise is needed in policy making.
Black Group Report
Agency Funding and Missions
Continuing mismatch between core competencies and problem-driven re-
search (programs, time frames, etch; chemistry and chemical engineering subdi-
visions not coherent with environmental problems; funding sources need to be
tied to problem horizons; need to avoid discontinuities for funding specific areas;
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APPENDIX G
175
need more sustained funding for instruments and instrumentation; mission align-
ment—pressure on regulators to declare problems solved; need for continuity for
long-term monitoring; need appropriate mixture of individual investigators and
centers to meet various challenges
Chemistry Chemical Engineering Education
Chemistry and chemical engineering subdivisions not coherent with envi-
ronmental problems; environmental aspects of chemistry and chemical engineer-
ing not always treated or sold well; barriers to cross-disciplinary work; need more
use of environmental examples at undergraduate level; greater need to align
multidisciplinary programs and expectations of graduate students
Tools
Structure-activity relationship models are too empirical
Things ThatAre Working Well
Increases in joint agency funding (clarity of purpose); utilization of SBIR;
funding of large field studies; centers some successes
Representative terms from entire chapter:
environmental science