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CHALLENGES FOR THE CHEMICAL SCIENCES IN THE 21ST CENTURY ENERGY AND TRANSPORTATION ORGANIZING COMMITTEE FOR THE WORKSHOP ON ENERGY AND TRANSPORTATION COMMITTEE ON CHALLENGES FOR THE CHEMICAL SCIENCES IN THE 21 ST CENTURY BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY DIVISION ON EARTH AND LIFE STUDIES NATIONAL RESEARCH COUNCIL OF THE NATIONAL ACADEMIES THE NATIONAL ACADEMY PRESS Washington, D.C. www.nap.edu

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THE NATIONAL ACADEMIES PRESS 500 Fifth Street, N.W. Washington, DC 20001 NOTICE: The project that is the subject of this report was approved by the Governing Board of the National Research Council, whose members are drawn from the councils of the National Academy of Sciences, the National Academy of Engineering, and the Insti- tute of Medicine. The members of the committee responsible for the report were chosen for their special competences and with regard for appropriate balance. Support for this study was provided by the National Research Council, the U.S. De- partment of Energy (DE-AT-01-EE41424, BES DE-FG-02-OOER15040, and DE-AT01- 03ER15386), the National Science Foundation (CTS-9908440), the Defense Advanced Research Projects Agency (DOD MDA972-01-M-0001), the U.S. Environmental Protec- tion Agency (R82823301), the American Chemical Society, the American Institute of Chemical Engineers, the Camille and Henry Dreyfus Foundation, Inc. (SG00-093), the National Institute of Standards and Technology (NA1341-01-2-1070 and 43NANB010995), and the National Institutes of Health (NCI-N01-OD-4-2139, and NIGMS-N01-OD-4-2139), and the chemical industry. Any opinions, findings, conclusions, or recommendations expressed in this publication are those of the authors and do not necessarily reflect the views of the organization or agencies that provide support for the project. International Standard Book Number 0-309-08741-4 (Book) International Standard Book Number 0-309-52684-1 (PDF) Additional copies of this report are available from: The National Academies Press 500 5th Street, N.W. Lockbox 285 Washington, DC 20055 800-624-6242 202-334-3313 (in the Washington Metropolitan Area) http://www.nap.edu Copyright 2003 by the National Academy of Sciences. All rights reserved. Printed in the United States of America

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THE NATIONAL ACADEMIES Advisers to the Nation on Science, Engineering, and Medicine The National Academy of Sciences is a private, nonprofit, self-perpetuating society of distinguished scholars engaged in scientific and engineering research, dedicated to the furtherance of science and technology and to their use for the general welfare. Upon the authority of the charter granted to it by the Congress in 1863, the Academy has a mandate that requires it to advise the federal government on scientific and technical matters. Dr. Bruce M. Alberts is president of the National Academy of Sciences. The National Academy of Engineering was established in 1964, under the charter of the National Academy of Sciences, as a parallel organization of outstanding engineers. It is autonomous in its administration and in the selection of its members, sharing with the National Academy of Sciences the responsibility for advising the federal government. The National Academy of Engineering also sponsors engineering programs aimed at meeting national needs, encourages education and research, and recognizes the superior achievements of engineers. Dr. Wm. A. Wulf is president of the National Academy of . ~ . . . engineering. The Institute of Medicine was established in 1970 by the National Academy of Sciences to secure the services of eminent members of appropriate professions in the examination of policy matters pertaining to the health of the public. The Institute acts under the respon- sibility given to the National Academy of Sciences by its congressional charter to be an adviser to the federal government and, upon its own initiative, to identify issues of medical care, research, and education. Dr. Harvey V. Fineberg is president of the Institute of Medicine. The National Research Council was organized by the National Academy of Sciences in 1916 to associate the broad community of science and technology with the Academy's purposes of furthering knowledge and advising the federal government. Functioning in accordance with general policies determined by the Academy, the Council has become the principal operating agency of both the National Academy of Sciences and the National Academy of Engineering in providing services to the government, the public, and the scientific and engineering communities. The Council is administered jointly by both Academies and the Institute of Medicine. Dr. Bruce M. Alberts and Dr. Wm. A. Wulf are chair and vice chair, respectively, of the National Research Council. www. nationa l-academies.org

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ORGANIZING COMMITTEE FOR THE WORKSHOP ON ENERGY AND TRANSPORTATION ALLEN J. BARD, University of Texas, Co-chair MICHAEL p. RAMAGE, ExxonMobil, Co-chair JOSEPH G. GORDON, IBM Almaden Research Center ARTHUR J. NOZ1K, National Renewable Energy Laboratory RIGHARD R. SCHROCK, Massachusetts Institute of Technology EEEEN B. STECHEE, Ford Motor Company Staff JENNIFER J. JACK1W, Program Officer CHRISTOPHER K. MURPHY, Program Of fleer SYBIL A. PAIGE, Administrative Associate DOUGLAS J. RABER, Senior Scholar DAVID c. RASMUSSEN, Program Assistant ERIC L. SHIPP, Postdoctoral Associate DOROTHY ZOEANDZ, Director v

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COMMITTEE ON CHALLENGES FOR THE CHEMICAL SCIENCES IN THE 21ST CENTURY RONALD BRESEOW, Columbia University, Co-chair MATTHEW v. TIRRELL, University of California at Santa Barbara, Co-chair MARK A. BARTEAU, University of Delaware JAcQuEE~NE K. BARTON, California Institute of Technology CAROLYN R. BERTOZZI, University of California at Berkeley ROBERT A. BROWN, Massachusetts Institute of Technology ALICE p. GAST,1 Stanford University IGNACIO E. GROSSMANN, Carnegie Mellon University JAMES M. MEYER,2 DuPont co. ROYCE w. MURRAY, University of North Carolina at Chapel Hill PAUL J. REIDER, Amgen, Inc. WILLIAM R. ROUSH, University of Michigan MICHAEL L. SHULER, Cornell University JEFFREY J. SITROLA, Eastman Chemical Company GEORGE M. WHITESIDES ~ Harvard University PETER G. WOLYNES, University of California, San Diego RICHARD N. ZARE, Stanford University Staff JENNIFER J. JACK1W, Program Officer CHRISTOPHER K. MURPHY, Program Officer SYBIL A. PAIGE, Administrative Associate DOUGLAS J. RABER, Senior Scholar DAVID c. RASMUSSEN, Program Assistant ERIC L. SHIPP, Postdoctoral Associate DOROTHY ZOEANDZ, Director iCommittee member until July 2001; subsequently Board on Chemical Sciences and Technology (BCST) liaison to the committee in her role as BCST co-chair. 2Committee member until March 2002, following his retirement from DuPont. vim

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BOARD ON CHEMICAL SCIENCES AND TECHNOLOGY KENNETH RAYMOND, University of California, Berkeley, Co-chair ALICE p. GAST, Massachusetts Institute of Technology, Co-chair ARTHUR I. BIENENSTOCK, Stanford University A. WEEFORD CASTEEMAN, JR., Pennsylvania state University THOMAS M. CONNALLY, JR., DuPont Company JOSEPH M. DESIMONE, University of North Carolina, Chapel Hill, and North Carolina state University CATHERINE FENSEEAU, University of Maryland JON FRANKLIN, University of Maryland RICHARD M. GROSS, Dow Chemical Company NANCY B. JACKSON, Sandia National Laboratory SANGTAE KIM, Eli Lilly and Company WILLIAM KEEMPERER, Harvard University THOMAS J. MEYER, Los Alamos National Laboratory PAUL J. REIDER, Amgen, Inc. LYNN F. SCHNEEMEYER, Bell Laboratories JEFFREY J. SITROLA, Eastman Chemical Company ARNOLD F. STANCEEE, Georgia Institute of Technology ROBERT M. SUSSMAN, Latham & Watkins JOHN c. TULLY, Yale University CHI-HUEY WONG, Scripps Research Institute STEVEN w. YATES, University of Kentucky Staff JENNIFER J. JACK1W, Program Officer CHRISTOPHER K. MURPHY, Program Of ricer SYBIL A. PAIGE, Administrative Associate DOUGLAS J. RABER, Senior Scholar DAVID c. RASMUSSEN, Program Assistant ERIC L. SHIPP, Postdoctoral Associate DOROTHY ZOEANDZ, Director . . vi!

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Preface The Workshop on Energy and Transportation took place on January 7-9, 2002, in Washington, DC. This workshop was the second in a series of work- shops that comprise the study Challenges in the Chemical Sciences in the 21St Century. The purpose of this study was to carry out a survey of the current status of the chemical sciences, including chemistry and chemical engineering, and its interfaces with other disciplines such as mechanical engineering, physics, materials science, and the biological sciences. The goal of the study was to assess trends across these broad fields and identify key opportunities and challenges. The Workshop on Energy and Transportation had as its specific focus the contribution that the chemical sciences could make in the development of both emerging and traditional energy sources as well as new and improved transporta- tion. The workshop was attended by approximately 100 individuals from industry, academia, and the federal government with expertise in the chemical sciences. A series of presenters covered issues related to use of the chemical sciences to meet challenges in the areas of energy and transportation. The ideas and challenges identified in the presentations were used as a starting point for breakout sessions, where the participants further developed concepts and needs and identified oppor- tunities. All of this material, from both the presentations and the breakout sessions. were used by the committee as the basis for this report. The summaries of the presentations in this report contain the opinions expressed by the speakers. Sidebars are included in these presentation summaries to highlight topics of interest related to the presentations. These sidebars were authored by the committee and were based on feedback received by the commit- tee by the workshop participants. The final chapter of this report contains challenges identified by the committee. These challenges are based on the Six

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x PREFACE presentations and the feedback from the workshop participants. While the com- mittee relied on this feedback to identify the challenges, sole responsibility for these statements rests with the organizing committee. Allen J. Bard Michael P. Ramage Co-chairs, Organizing Committee for the Workshop on Energy and Transportation

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Acknowledgment of Reviewers This report has been reviewed in draft form by individuals chosen for their diverse perspectives and technical expertise, in accordance with procedures approved by the National Research Council's (NRC's) Report Review Com- mittee. The purpose of this independent review is to provide candid and critical comments that will assist the institution in making the published report as sound as possible and to ensure that the report meets institutional standards for objectiv- ity, evidence, and responsiveness to the study charge. The review comments and draft manuscript remain confidential to protect the integrity of the deliberative process. We wish to thank the following individuals for their participation in the review of this report: Rod Borup, Los Alamos National Laboratory W. Nicholas Delgass, Purdue University Julie L. d'Itri, U.S. Department of Energy Theodore H. Geballe, Stanford University Norman A. Gjostein, Ford Motor Company (retired) Roy Gordon, Harvard University David L. Morrison, North Carolina State University Christine S. Sloane, General Motors Corporation Although the reviewers listed above have provided many constructive com- ments and suggestions, they were not asked to endorse the conclusions or recom- mendations nor did they see the final draft of the report before its release. The review of this report was overseen by Dr. L. Louis Hegedus, Atofina Chemicals, x~

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xt! ACKNOWLEDGMENT OF REVIEWERS Inc. Appointed by the National Research Council, he was responsible for making certain that an independent examination of this report was carried out in accor- dance with institutional procedures and that all review comments were carefully considered. Responsibility for the final content of this report rests entirely with the authoring committee and the institution.

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Contents Executive Summary Introduction 11 Research Opportunities and Challenges in the Energy Sector 13 3 Fuel Cell Development Managing the Interfaces 18 Interface Challenges and Opportunities in Energy and Transportation 23 5 R&D Challenges in the Chemical Sciences to Enable Widespread Utilization of Renewable Energy 33 6 Nano- and Microscale Approaches to Energy Storage and Corrosion 40 7 Challenges for the Chemical Sciences in the 21St Century 8 A Renaissance for Nuclear Power? 9 Materials Technologies for Future Vehicles 45 49 56 10 Could Carbon Sequestration Solve the Problem of Global Warming? 62 11 The Hydrogen Fuel Infrastructure for Fuel Cell Vehicles . . . x~ 66

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xlv CONTENTS 12 Opportunities for Catalysis Research in Energy and Transportation 70 13 Role of 21St Century Chemistry in Transportation and Energy 76 14 Future Challenges for the Chemical Sciences in Energy and Transportation Appendixes A Statement of Task B Biographies of the Organizing Committee Members C Workshop Participants D Workshop Agenda E Results from Breakout Sessions 80 93 94 97 100 104