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Energy Landscapes, Inherent Structures, and Condensed-Matter Phenomena
This book presents an authoritative and in-depth treatment of potential energy landscape theory, a powerful analytical approach to describing the atomic and molecular interactions in condensed-matter phenomena. Drawing on the latest developments in the computational modeling of many-body systems, Frank Stillinger applies this approach to a diverse range of substances and systems, including crystals, liquids, glasses and other amorphous solids, polymers, and solvent-suspended biomolecules. Stillinger focuses on the topography of the multidimensional potential energy hypersurface created when a large number of atoms or molecules simultaneously interact with one another. He explains how the com...
The Physical Chemistry of Aqueous Systems
Conformation and Hydration of Sugars and Related Compounds in Dilute Aqueous Solution.- Studies of Hydrophobic Bonding in Aqueous Alcohols: Enthalpy Measurements and Model Calculations.- Structure in Aqueous Solutions of Nonpolar Solutes from the Standpoint of Scaled-Particle Theory.- Raman Spectra from Partially Deuterated Water and Ice VI to 10.1 kbar at 28°C.- Solvation Equilibria in Very Concentrated Electrolyte Solutions.- Ionic Association in Hydrogen-Bonding Solvents.- The Role of Solvent Structure in Ligand Substitution and Solvent Exchange at Some Divalent Transition-Metal Cations.- N.
Black and Smokeless Powders
Some 600 pipe bomb explosions have occurred annually in the United States during the past several years. How can technology help protect the public from these homemade devices? This book, a response to a Congressional mandate, focuses on ways to improve public safety by preventing bombings involving smokeless or black powders and apprehending the makers of the explosive devices. It examines technologies used for detection of explosive devices before they explodeâ€"including the possible addition of marking agents to the powdersâ€"and technologies used in criminal investigations for identification of these powdersâ€"including the possible addition of taggants to the powdersâ€"in t...
Corps of Engineers Water Resources Infrastructure
Over the past century, the U.S. Army Corps of Engineers has built a vast network of water management infrastructure that includes approximately 700 dams, 14,000 miles of levees, 12,000 miles of river navigation channels and control structures, harbors and ports, and other facilities. Historically, the construction of new infrastructure dominated the Corps' water resources budget and activities. Today, national water needs and priorities increasingly are shifting to operations, maintenance, and rehabilitation of existing infrastructure, much of which has exceeded its design life. However, since the mid-1980s federal funding for new project construction and major rehabilitation has declined steadily. As a result, much of the Corps' water resources infrastructure is deteriorating and wearing out faster than it is being replaced. Corps of Engineers Water Resources Infrastrucutre: Deterioration, Investment, or Divestment? explores the status of operations, maintenance, and rehabilitation of Corps water resources infrastructure, and identifies options for the Corps and the nation in setting maintenance and rehabilitation priorities.
Re-Engineering Water Storage in the Everglades
The Water Science and Technology Board and the Board on Environmental Studies and Toxicology have released the seventh and final report of the Committee on Restoration of the Greater Everglades Ecosystem, which provides consensus advice to the South Florida Ecosystem Restoration Task Force on various scientific and technical topics. Human settlements and flood-control structures have significantly reduced the Everglades, which once encompassed over three million acres of slow-moving water enriched by a diverse biota. To remedy the degradation of the Everglades, a comprehensive Everglades Restoration Plan was formulated in 1999 with the goal of restoring the original hydrologic conditions of ...
Assessing the TMDL Approach to Water Quality Management
Over the last 30 years, water quality management in the United States has been driven by the control of point sources of pollution and the use of effluent-based water quality standards. Under this paradigm, the quality of the nation's lakes, rivers, reservoirs, groundwater, and coastal waters has generally improved as wastewater treatment plants and industrial dischargers (point sources) have responded to regulations promulgated under authority of the 1972 Clean Water Act. These regulations have required dischargers to comply with effluent-based standards for criteria pollutants, as specified in National Pollutant Discharge Elimination System (NPDES) permits issued by the states and approved...
Molecular Networking
The book builds on the analogy between social groups and assemblies of molecules to introduce the concepts of statistical mechanics, machine learning and data science. Applying a data analytics approach to molecular systems, we show how individual (molecular) features and interactions between molecules, or "communication" processes, allow for the prediction of properties and collective behavior of molecular systems - just as polling and social networking shed light on the behavior of social groups. Applications to systems at the cutting-edge of research for biological, environmental, and energy applications are also presented. Key features: Draws on a data analytics approach of molecular systems. Covers hot topics such as artificial intelligence and machine learning of molecular trends. Contains applications to systems at the cutting-edge of research for biological, environmental and energy applications. Discusses molecular simulation and links with other important, emerging techniques and trends in computational sciences and society. Authors have a well-established track record and reputation in the field.
Alternatives for Managing the Nation's Complex Contaminated Groundwater Sites
Across the United States, thousands of hazardous waste sites are contaminated with chemicals that prevent the underlying groundwater from meeting drinking water standards. These include Superfund sites and other facilities that handle and dispose of hazardous waste, active and inactive dry cleaners, and leaking underground storage tanks; many are at federal facilities such as military installations. While many sites have been closed over the past 30 years through cleanup programs run by the U.S. Department of Defense, the U.S. EPA, and other state and federal agencies, the remaining caseload is much more difficult to address because the nature of the contamination and subsurface conditions m...
