1974 — 1977 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Experimental and Theoretical Studies of Liquids and Liquid Surfaces |
0.915 |
1975 — 1978 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Experimental and Theoretical Studies in Photochemistry |
0.915 |
1975 — 1977 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Purchase of Laser Spectroscopy Instrumentation |
0.915 |
1976 — 1977 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Purchase of An X-Ray Diffraction System |
0.915 |
1984 — 1987 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Theoretical and Experimental Studies of Intramolecular Dynamics (Chemistry) |
0.915 |
1985 |
Rice, Stuart A |
R01Activity Code Description: To support a discrete, specified, circumscribed project to be performed by the named investigator(s) in an area representing his or her specific interest and competencies. |
Theoretical Studies of Aqueous Solutions
It is proposed to study amorphous solid water as a model of liquid water, and to determine if amorphous solid water solutions (codeposits) can model aqueous solutions. The research involves experimental and theoretical studies which employ, as appropriate, diffraction, spectroscopic, thermodynamic and relaxation measurements. and analytical and computer modelling. Using information to be obtained from the new experimental studies, and data already available, the recently proposed model of low density amorphous solid water will be improved and inferences about the structure of liquid water drawn from it tested. Theoretical models of high density amorphous solid water and amorphous solid water solutions will be constructed and similarly used to guide the interpretation of properties of liquid water and aqueous solutions respectively. A theoretical description of liquid water will be developed, with approximations selected on the basis of consistency with the structural and dynamical properties of the several phases of water, and the most accurate available intermolecular potential.
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1 |
1985 — 1990 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Iuc Program/Theoretical and Experimental Studies of Liquids,Liquid Surfaces and Liquid-Vapor Interfaces of Metals and Alloys of Supported Films (Chemistry) |
0.915 |
1986 — 1987 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Report of the Symposium On Undergraduate Education in Chemistry and Physics |
0.915 |
1987 — 1993 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Studies of Dynamical Selectivity
Professor Stuart Rice is supported by a grant from the Theoretical and Computational Chemistry Program to continue his theoretical research involving dynamical selectivity of molecular processes, particularly those which are related to product formation in chemical reactions. Such studies will help in the development of experimental techniques which influence the course of a chemical reaction through the use of pulsed laser excitation. Professor Rice will continue to refine and extend the Tannor-Rice scheme for controlling the selectivity of product formation in chemical reactions. He will also extend the recently developed Davis-Gray-Rice version of unimolecular reaction rate theory to systems with many degrees of freedom and the formulation of a quantum mechanical version of the theory. Finally, Rice will also continue his research examining the signatures of chaos in quantum mechanical systems.
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0.915 |
1990 — 1996 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Theoretical and Experimental Studies of Liquid-X Interfaces
Professor Stuart A. Rice is supported by a grant from the Theoretical and Computational Chemistry Program to continue his studies involving liquid-liquid, and liquid-vapor interfaces. Rice will use a combination of theory and experiment to perform studies of: 1) the molecular packing and properties of several phases of liquid supported monolayers; 2) the influence of a monolayer on the structure of the adjacent region of the supporting liquid; 3) the influence of the monolayer on the distribution of solutes in the adjacent region of the supporting liquid; and 4) the structural consequences of segregation of the components in a liquid-vapor interface of a metallic mixture. Experimental studies will involve the use of grazing incidence X-ray diffraction and Fourier transform infrared spectroscopy. Simulations will involve the use of Molecular Dynamics and Monte Carlo techniques as well as Car-Parinello theory. %%% Very little is known about the sturcture of the interface between two immiscible phases. Many chemical and biological phenomena depend on the nature of this interface. For example, the interface between long chain amphiphiles and water is a model for biological membranes which occur in the cell wall. Professor Rice is using a combination of theoretical and experimental methods which have only recently become available to explore the detailed structure of these phase boundaries and the factors which influence this structure.
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0.915 |
1992 — 1998 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Theoretical Studies of Reaction Dynamics
Professor Stuart Rice is supported by a grant from the Theoretical and Computational Chemistry Program to perform studies of elementary processes in chemical dynamics for the purpose of (i) improving the theory of laser control of product selectivity in a chemical reaction, and (ii) improving the theory of unimolecular reaction rates. Existing theories of laser control of the evolution of a quantum system will be extended to the case of nonadiabatic reactions, and the theory will be improved by incorporation of a feedback mechanism that shapes the optimal laser field without precise knowledge of all of the molecular parameters in the system Hamiltonian. The description of unimolecular reaction rates based on modern nonlinear mechanics will be improved by extension of the mapping methods which provide an exact representation of the dynamics of systems with two degrees of freedom to systems with many degrees of freedom. The results will be used to study several types of unimolecular fragmentation and isomerization reactions. A quantum version of the classical theory of unimolecular reaction rates will also be developed. %%% The achievement of selective control of product formation in a reaction has been sought persistently throughout the evolution of chemistry. To date, such control has only been accomplished at the macroscopic level, by the manipulation of external factors such as temperature, pressure, solvent character, etc. With the advent of the tunable laser, it was hoped that product selectivity could be controlled at the microscopic level, and that individual bonds within a molecule could be selectively broken. It was very quickly found that energy absorbed by a molecule was not easily localized in individual bonds, but preferred to redistribute throughout the molecule. More recently, however, the concept of laser selective chemistry has had a rebirth, and theories developed by Rice and others have shown that energy could be localized by carefully choosing a complex sequence of laser pulses of prescribed shapes. If this theory can be put to practice experimentally, it may still be possible to realize the goal of microscopic selective control of chemical reactions.
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0.915 |
1992 — 1994 |
Rice, Stuart Schlossman, Mark (co-PI) [⬀] |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Scattering From Liquid Surfaces: Construction Funds For Beamline Xl9c At the National Synchrotron Light Source, Brookhaven National Laboratory
This award from the Chemistry Research Instrumentation Program will help the Department of Chemistry at the University of Chicago renovate the beamline X19C at the National Synchrotron Light Source, which will be used in research investigations in the following areas of chemistry: 1) determination of the structure of surfaces of complex fluids composed of polymers, lipids, lyotropic and thermotropic liquid crystals, 2) the structure of the liquid metal-vapor and liquid metal-liquid dielectric interfaces, and 3) the structure of monolayers of amphiphiles at the liquid-vapor and liquid-liquid interface. Surface sensitive x-ray scattering techniques are used to study phenomena occuring at liquid interfaces. These techniques require that the x-ray source have high brilliance, i.e., typically a synchrotron source must be used. A high-brillance source is needed because the number of scattering molecules at the interface is very small, the intrinsic scattering power of the organic compound of interest is very low, and the beam size required for grazing incidence Bragg diffraction is very small. The areas of potential technological application of the techniques which will be enabled by the instrumentation which will be provided are polymer surfaces and interfaces for improved lubrication and adhesion, cohesion of composite materials, synthetic thin films, coatings, and electrodes.
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0.915 |
1996 — 1999 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Studies of Quasi-Two Dimensional Systems
Professor Stuart A. Rice is supported by a grant from the Theoretical and Computational Chemistry Program to continue his studies of quasi-two dimensional systems. Rice will use a combination of theory and experiment to perform studies of: 1) polymer spheres and dimers in very thin cells or adsorbed on liquid surfaces; 2) Langmuir monolayers; and 3) the liquid-vapor interfaces of mixtures of metals. Experimental techniques to be employed include evanescent wave dynamic light scattering, digital video microscopy, and grazing incidence X-ray diffraction and X-ray reflectivity. Simulations will involve the use of Molecular Dynamics and Monte Carlo techniques as well as Car-Parinello theory. Very little is known about the structure of the interface between two immiscible phases. Many chemical and biological phenomena depend on the nature of this interface. For example, the interface between long chain amphiphiles and water is a model for biological membranes found in the cell wall. Rice is using a combination of theoretical and experimental methods that have only recently become available to explore the detailed structure of these phase boundaries and the factors that influence their structure.
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0.915 |
1996 — 2001 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Chemmatcars: a Synchrotron Resource For Chemistry and Materials Research At the Advanced Photon Source
This project, supported in the Directorate for Mathematical and Physical Sciences by the Divisions of Chemistry and Materials Research and by the Office of Multidisciplinary Activities, and co-supported by the U.S. Department of Energy Office of Basic Energy Sciences, enables the Consortium for Advanced Radiation Sources (CARS) to design, build, and operate an allocated sector dedicated primarily to structural and condensed matter chemistry and materials research at the Advanced Photon Source (APS) synchrotron X-ray facility. During the tenure of this forty- eight month continuing grant, Drs. Stuart Rice and James Viccaro of the University of Chicago, Benjamin Chu of the State University of New York at Stony Brook, Philip Coppens of the State University of New York at Buffalo, Peter Pershan of Harvard University, and Mark Schlossman of the University of Illinois at Chicago will lead a team of experts to instrument the insertion device beamline at Sector 18 at the APS that will enable research in three areas: (1) surface and interfacial properties in soft condensed matter, molecular liquids, and liquid metals; (2) static and time-dependent interfacial and bulk properties of novel polymers and composites, including properties of supramolecular and mesoscopic structures; and (3) chemical crystallography, with emphasis on anomalous scattering, time resolution, and high spatial and energy dispersion. In this project, it is intended that the sector to be developed will serve as the primary access to the APS for scientists who comprise the ChemMatCARS group of investigators within CARS, and that there will also be made available 25% of beamtime to scientists in the chemistry and materials research communities whose research activities would benefit from this facility.
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0.915 |
1997 — 1999 |
Rice, Stuart Rosner, Robert (co-PI) [⬀] |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
A Computation Laboratory For the Undergraduate Programs in Chemistry and Imaging Science
This project is providing equipment for new undergraduate courses in Computational Chemistry and Data Visualization. Computational Chemistry is aimed at chemistry majors, and Data Visualization is designed for non-science-students in the undergraduate core curriculum. Although different in content, both courses have the same laboratory exercise format and require the same computational equipment. The Computational Chemistry course is designed to generate an understanding of the interplay between basic theory and computational methodology, the circumstances under which computation is the preferred tool for problemsolving, and the accuracy with which those problems can be solved. The Data Visualization course includes both the methodology of quantitative analysis of visual information and the experimental process of image acquisition. The idea that the process of image acquisition cannot be divorced from the analysis process is emphasized because the methods of data generation influence both the interpretation of the data and the methods of data analysis. The goal of these classes is to enhance critical thinking about scientific problems. Computation can assist in achieving that goal. *
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0.915 |
1998 — 2002 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Studies of the Control of Quantum Dynamics
Stuart Rice is supported by a grant from the Theoretical and Computational Chemistry Program to continue his work on the theory of control of the evolution of quantum many body systems with applications to the selective enhancement of products of a chemical reaction. Four areas of study will be pursued: 1) refinements and extensions of the Kobrak-Rice photoselective adiabatic passage scheme; 2) the accuracy of reduced dynamical descriptions of an excited molecule; 3) the control of the evolution of a molecule embedded in a solvent; and 4) the possible existence of a fundamental limit to the extent of control of quantum dynamics that is attainable. Much of the theoretical approach to coherent control will be developed as an extension to the generalized Stimulated Raman Adiabatic Passage (StiRAP) process for control of product selectivity in a reaction.
The achievement of selective control of product formation in a reaction has been sought persistently throughout the evolution of chemistry. To date, such control has only been accomplished at the macroscopic level, by the manipulation of external factors such as temperature, pressure, solvent character, etc. With the advent of the tunable laser, it was hoped that product selectivity could be controlled at the microscopic level, and that individual bonds within a molecule could be selectively broken. It was very quickly found that energy absorbed by a molecule was not easily localized in individual bonds, but preferred to redistribute throughout the molecule. More recently, however, the concept of laser selective chemistry has had a rebirth, and theories developed by Rice and others have shown that energy could be localized by carefully choosing a complex sequence of laser pulses of prescribed shapes. If this theory can be put to practice experimentally, it may still be possible to realize the goal of microscopic selective control of chemical reactions.
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0.915 |
1999 — 2004 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Quasi-Two Dimensional Colloid Suspensions
Stuart Rice is supported by a grant from the Theoretical and Computational Chemistry Program to perform experimental and theoretical studies of the properties of quasi-two dimensional systems. The systems to be studied are suspensions of uncharged monodisperse colloid particles in very thin cells. The proposed experimental studies will be based on digital video microscopy measurements, and use will be made of an optical tweezer to perform trapping experiments. Theoretical simulations will be used to extend the theory of transport in colloid suspensions to include structural fluctuations. Various applications of density functional theory will also be used to study the phase diagram of quasi-two dimensional systems. Particular questions to be addressed include: 1) the changes induced in structures of quasi-two dimensional phases, and the character of the transitions between those phases as a function of constraints associated with confinement; 2) the density dependence of the relaxation processes, and the onset of glass formation; 3) how relaxation processes in colloid suspensions are influenced by a transition from quasi-two dimensional to three dimensional confinement; and 4) how the range of colloid-colloid interaction influences the structure and dynamical behavior of quasi-two dimensional suspensions.
The proposed studies will lead to a deeper understanding of the properties of liquid systems that, because they are constrained to two dimensional motion, exhibit unique thermodynamic behavior. This work may have important applications in the development of new materials or specialized devices.
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0.915 |
1999 — 2004 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Liquid Metal-X Interfaces
Stuart Rice of the University of Chicago is funded by the Theoretical and Computational Chemistry Program for a combined experimental and theoretical approach to study the interfaces between pure metals and alloys and other species of condensed matter. The studies are directed primarily at interfaces between liquid and vapor, liquid and solid, and between liquid and an adsorbate on the liquid surface. The experimental studies will use grazing incidence x-ray diffraction, grazing incidence differential anomalous x-ray diffraction, x-ray reflectivity, x-ray reflectivity fine structure and surface sensitive EXAFS measurements. The theoretical studies will employ self-consistent quantum Monte Carlo simulations. The longitudinal and transverse structure in the liquid-vapor interface of alloys will be studied with particular attention to the heterovalent alloys. The longitudinal and transverse structure in the liquid-solid interfaces of pure metals and alloys will be examined for the influence of the field of the solid on the structure of the liquid at the interface. The variation of the interface will be studied as a function of the alloy composition and temperature.
Very little is known about the structure of the interface between two immiscible phases. Many chemical phenomena depend on the nature of this interface. Professor Rice is using a combination of theoretical and experimental methods which have only recently become available to explore the detailed structure of these phase boundaries and the factors which influence this structure.
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0.915 |
2001 — 2006 |
Rice, Stuart Schlossman, Mark (co-PI) [⬀] Viccaro, P. Coppens, Philip (co-PI) [⬀] Chu, Benjamin |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Chemmatcars: a National Chemistry and Materials Synchrotron Research Facility At the Advanced Photon Source
The Chemistry Research Instrumentation and Facilities Program in the Chemistry Division, the Division of Materials Research and the Office of Basic Energy Sciences at the Department of Energy provide continuing support to P. James Viccaro and Stuart Rice of the University of Chicago, Benjamin Chu of SUNY-Stony Brook, Philip Coppens of SUNY-Buffalo and Mark Schlossman of the University of Illinois in Chicago for their research efforts utilizing the ChemMatCARS beamline at the Argonne National Lab Advanced Photon Source. The PIs will complete development and initiate the operations phase at the three stations: chemical crystallography in station 15-1D-B; surface scattering in station 15-1D-C; and small angle- wide angle X-ray scattering (SAXS/WAXD) in 15-1D-D. Examples of some of the surface studies include studies of amphiphiles and biological macromolecules at the water-vapor interface; liquid metal interfaces; superflid helium surfaces; polymer surfaces-static structure; dynamics at interfaces; and liquid-liquid interfaces. Chemical crystallography studies include the mapping of charge densities with synchrotron radiation; resonance diffraction studies; and the study of transient species. The SAXS/WAXD studies will focus on fiber and filament processing; polymer and fiber stretching; and protein folding and kinetics of complexation.
This award will provide maintenance, operation, selected upgrades and continued development of this unique resource as a national user facility for the chemical and materials science community. Presently, the user community includes more than forty principal investigators. By the end of the third year of operations, at least forty-five percent of the total beamtime will be available to the community at large. In addition, this facility provides partial funding of postdoctoral positions and travel support for first time users and graduate students who require an extended stay at the facility.
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0.915 |
2001 — 2005 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Active Control of Chemical Reactions
In this award funded by the Theoretical and Computational Chemistry Program of the Chemistry Division, Rice will study the theory for the active control of the evolution of quantum many-body systems in order to establish conditions under which active control of a unimolecular reaction can be achieved in a dense liquid phase. The principal focus in these investigations will be on developing new variants of methods that use coherent excitation of states with or without adiabatic transfer of population. A main focus in on the development of new stimulated Raman adiabatic passage (STIRAP) laser excitation schemes for both gas phase and solution phase reactions. Other promising methods as well as refinements and extensions of previous implementations of active control of molecular dynamics will also be studied.
Selective control of product formation in a chemical reaction has been sought persistently throughout the evolution of chemistry. Using such control of a reaction would allow one to generate a particular product mostly or completely. Control has been accomplished at the macroscopic level by manipulating external factors such as temperature, pressure, solvent character, etc. With the advent of the tunable laser, it was hoped that product selectivity could be controlled at the microscopic level, and that individual bonds within a molecule could be selectively broken. It was very quickly found that energy absorbed by a molecule was not easily localized in individual bonds, but preferred to redistribute throughout the molecule. More recently, however, the concept of laser selective chemistry has had a rebirth, and theories developed by Rice and others have shown that energy could be localized by carefully choosing a complex sequence of laser pulses of prescribed shapes. If this theory can be put to practice experimentally, it will be possible to realize the goal of microscopic selective control of chemical reactions.
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0.915 |
2003 — 2007 |
Rice, Stuart |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Structure and Diffusive Motion in Confined Multi-Component Colloid Suspensions
Stuart Rice is supported by a grant from the Experimental Physical Chemistry Program of the Chemistry Division to perform experimental and theoretical studies of the properties of quasi-two-dimensional systems. The systems studied are suspensions of uncharged monodisperse colloid particles in very thin cells. The proposed experimental studies are based on digital video microscopy measurements and image analysis, while the theoretical tools include computer simulations, statistical mechanics, and hydrodynamics. Particular questions to be addressed include 1) the influence of the interplay between the range and strength of the direct (non-hydrodynamic) colloid-colloid interaction and the scale of confinement on the structures of the phases that a dense colloid suspension can support; and 2) the effects of the interplay between the direct colloid-colloid interaction, the hydrodynamic interactions in the suspension, and the scale of confinement on the diffusive motion of pairs, triplets, etc., of colloid particles in a quasi-two-dimensional or quasi-one-dimensional environment.
The main thrust of this project is to understand the structural and dynamical features of confined colloid systems and the application of that knowledge to other systems. The studies will lead to a deeper understanding of the properties of liquid systems that, because they are constrained to two-dimensional motion, exhibit unique thermodynamic behavior. This work will also enhance insight about the self-organization of colloids, and hence the nature of cell membranes, and it may ultimately have important applications for nanotechnology and the control of microfluidic devices. In the course of these studies undergraduate and graduate students as well as postdoctoral researchers receive training in the use of state-of-the art experimental and theoretical techniques.
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0.915 |
2006 — 2009 |
Rice, Stuart Schlossman, Mark (co-PI) [⬀] Viccaro, P. Russell, Thomas Coppens, Philip (co-PI) [⬀] |
N/AActivity Code Description: No activity code was retrieved: click on the grant title for more information |
Research Facilities At Chemmatcars: a Synchrotron Resource For Chemistry and Materials Science At the Advanced Photon Source
The Chemistry Research Instrumentation and Facilities Program in the Chemistry Division, the Division of Materials Research and the Office of Basic Energy Sciences at the Department of Energy provide continuing support to ChemMatCARS at the Argonne Advanced Photon Source. This award provides maintenance, operation and selected upgrades of this unique resource as a national user facility for the chemical and materials science community. Techniques supported by the facility include static and time-resolved x-ray diffraction, surface-sensitive and interface x-ray scattering, small-angle x-ray scattering and wide-angle x-ray scattering. The instrumentation can be adapted to accept a wide variety of user chambers for specialized sample environments.
This user facility provides a unique high brilliance x-ray resource for the study of surface, interfacial and bulk properties of liquids and solids on length scales ranging from the atomic to the mesoscopic. The research activities enabled by the ChemMatCARS user facility set the pace in adapting synchrotron techniques to best serve the chemistry community; contribute to the development of improved materials, notably plastics, membranes and nano-composites; serve as a training ground for researchers at all levels; and expand the synchrotron user community into archeology, anthropology and forensics.
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0.915 |