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By Haibin Wang, Kaile Tang, Chenn Q. Zhou, Guangwu Tang, Zhixiang Cui, Ping Zhou, Armin K. Silaen, Hongjie Yan, Zhi Wang

The submerged lance smelting furnace (SLS) for copper smelting has been developed and used by Dongying Fangyuan Nonferrous Metals Co., Ltd. The technology has shown advantages such as high oxygen enrichment, good feed adaptability, short processing time, high SO2 concentration for acid plant, and auto-thermal operation. In this study, computational fluid dynamics (CFD) was used to investigate the gas/matte two-phase flow characteristics and the chemical reactions in the SLS during typical operational conditions. The Eulerian-Eulerian approach was employed to model the phase interactions. The chemical reactions were modeled by calculating the mass transfer coef ficients and using the eddy-dissipation model. The simulation was conducted using the commercial software ANSYS Fluent®. The developed CFD model is able to predict the flow, temperature, and species distributions inside the SLS under various operating conditions.

Mar 1, 2018

By Amy McBrayer, Andrea Brickey

The paper discusses the mine planning methods used in the Powder River Basin (PRB), highlighting the differences from open-pit metal mines. It emphasizes the need for agile mine operations due to changing commodity markets and the challenges faced by the coal industry, such as volatile prices and reduced engineering manpower. The study includes a survey of mine engineers to document current practices and identify potential improvements.

Sep 1, 2023

By Andreas Siegmund

During the decade of the nineties the conventional method of primary lead smelting (sinter machine/blast furnace) was successfully challenged by the introduction of novel direct and continuous smelting processes. In combination with a significant shift in market structure, as well as more stringent government regulations these modem technological innovations like the QSL, Kivcet, and Isa/Ausmelt processes became more than major competitors. They have proven to be economically and environmentally viable. The intensification of the metallurgical reaction by applying oxygen enriched or pure oxygen bath or flash smelting principles resulted in cost savings and a higher flexibility with respect to raw materials and additives usage. By synchronizing individual auxiliary plant sections with the smelting process a virtually waste-free production and low-emission mode of operation with nearly optimum energy exploitation is achieved. The primary lead industry will gradually substitute the sinter -blast furnace operation with novel high-energy efficient technologies in the new millennium.

Jan 1, 2003

By D. François-Bongareon

"In previous publications by the author, significant advances and generalizations of the theory of sampling of broken ores, prompted and confirmed by experimental results, have been presented. This paper shows how to implement these theoretical results in practice. The models to be used are reviewed, with a description of the various sampling parameters involved. Then the methodology for the experimental assessment of those parameters, including segregation factors, is described in simple and practical terms, along with the use of handy sampling protocol charts. Finally, the particularly important case of processing data from a sample-tree experiment is detailed, and examples of applications covering all situations and types of experiments are provided.IntroductionThe reliability of a sample of crushed material , i.e. the expected (average) deviation between its true grade and the true grade of the lot it comes from, mostly depends upon six factors:• the size (mass) of the sample (and to a minor extent, for small lots, the size of the lot);• the size of the rock particles (degree of comminution)• the nature of the mineralization at microscopic scale (i.e., within even the smallest particles);• the geological nature of the mineralization and mineral of interest;• the grade of the lot in the mineral of interest; and• in some cases, the state of segregation of the lot.In practice, one should first disregard segregation problems, and assess sample variability in the segregation-free case. Once the numerical parameters governing this variability have been assessed, then segregation factors can be assessed in turn. In the case of laboratory standard sample preparation procedures, segregation can usually be disregarded altogether."

Jan 1, 1993

By F. Hashiuchi

In 1996, the Saganoseki custom smelter & refinery successfully shifted to a single flash smelting furnace operation and increased the copper production capacity to 450,000mtpy in 1998. As the next step, Saganoseki planned to further increase the productivity, especially in the area of P.S. converters and acid plant. As the results of modifications and operational improvements, the gas washing & cooling sections of the Saganoseki acid plant were consolidated from 3 to 2 lines, and increased the gas treatment capacity. The S02 converters in the acid plant were also modified to increase the acid production. By increasing the matte grade from 65 to 68%, six PS converters have been successfully integrated into four, while maintaining the production capacity and reducing the environmental burden in 2005. This paper discusses recent operational conditions and the results of implementation of technological improvements.

Jan 1, 2007

By John W. Motter

The Green Mountain Copper Prospect is an unusual stratiform base metal occurrence located in the California Foothills Copper-Zinc Belt. Mined for rich secondary oxide-carbonate ores since 1863, the first serious exploration of the primary ores was in the 1970's. Unlike typical volcanogenic deposits of the district, stratigraphy consists of greywackes overlain (?) or intruded by an intermediate to felsic volcanic unit. Shales and siltstones overlie the volcanic unit. Massive pyrrhotite, chalcopyrite and sphalerite occur at the top of the volcanic unit. Later intrusion and deformation metamorphosed the sequence and created a SW plunging anticline. Characteristic magnetic and electrical geophysical signatures are present and reviewed.

Jan 1, 1978

By L. C. IlsLey

"Nearly every piece of electrical equipment used in mines ""breathes."" In other words, motors, controllers, rheostats, switches, and other similar equipment, even though encased in seemingly tight compartments, breathe in the atmosphere that surrounds them.As the apparatus is used, the temperature of metallic parts is changed generally in positive direction through the heat by friction and the heat due to the electric current. When the apparatus is idle it gradually cools down to the temperature of the surrounding atmosphere.This increase of temperature during operation and return to normal temperature when operation stops alternately raises and lowers the temperature of the atmosphere within the compartments which, in strict accordance with Charles' law -will expand or contract in proportion to any given temperature change.As compartments are not gas-tight, such expansion and contraction will force the atmosphere out of the compartment =on expansion and suck the surround¬ing atmosphere into the compartment during contraction, hence the term ""breathing.""Investigators2 of explosion-proof equipment have recognized that such an interchange would take place and have designed their equipment to safeguard possible explosions within the compartments."

Jun 1, 1927

By Paul Miranda, Corby Anderson

"The Center for Advanced Mineral and Metallurgical Processing (CAMP) has recently obtained a Mineral Liberation Analyzer (MLA). CAMP has utilized the technology for several projects with excellent results. The MLA is able to both analyze size and quantify mineral phases. Therefore, the MLA is becoming the Sherlock Holmes of the mining and metallurgical industry. For this presentation, four projects have been evaluated and data was collected using the MLA. The first project involved tungsten mine. Previous mining practices have yielded poor tungsten results and recoveries. By using the MLA, tungsten mineral phases, along with possible contaminants, were verified and the results used to try to increase overall tungsten recoveries. The second project evaluated a molybdenite/chalcopyrite concentrate with surprising results. The third project is a silver project. Initial flotation scoping tests were performed by attempting to separate silver from gangue material. Because of the poor recovery results (less than 5%), MLA was used to determine possible scenarios for increasing silver recovery. Finally, the last project involves gold evaluation in tailings. For all projects, MLA application results will be presentedand discussed.INTRODUCTIONThe Center for Advanced Mineral and Metallurgical Processing (CAMP) has recently received a software add-on to a scanning electron microscope (SEM) located at Montana Tech. The Mineral Liberation Analyzer (MLA) technology was developed by Dr. Ying Gu of the JKTech Center of the University of Queensland. Since August 2006, CAMP has received and processed over 50 samples. These samples include a total mineralogy of tungsten ore samples, gold tailings, lead zinc tailings pile, molybdenite concentrates, copper concentrates, as well as others. During analysis of these received samples, the technology allows the samples to be quantified mineralogically with some surprising results.For analysis, the samples were initially sieved between 170 to 200 screen sized mesh. This ensures that received samples mineral size is fairly uniform. The samples are then placed into epoxy and allowed to harden. Next, the samples are polished and carbon coated for MLA analysis."

Jan 1, 2007

By Dominic C, Gregory B. Poole

On December 12, 2018 at 4:14 AM EST, an earthquake registering a 4.4 magnitude on the Richter Scale occurred in central Tennessee. According to a survey posted on the USGS website, this earthquake was felt throughout the southeast and even as far away as Arnold Nebraska. That’s over 900 miles (1,448 kilometers) from the epicenter. We recorded the vibrations from this earthquake on 44 different seismographs that were set up with remote access to continuously monitor vibrations from blasting activities. Having this data gave us an opportunity to compare the vibrations caused by earthquakes and blasting. A simple observation of the amplitudes, frequencies, and durations is enough to notice that vibrations from earthquakes are very different than vibrations caused by blasting in mining and construction

Feb 1, 2020

By Jacob Chacko

The east span of the San Francisco-Oakland Bay Bridge (SFOBB), which is one of the most heavily traveled bridges in the world, will be replaced due to seismic safety concerns. The majority of the new bridge will be founded on large-diameter (1.8 to 2.5 meters), approximately 60- to 100-meter-long pile foundations The large-diameter steel pipe piles and soil conditions are similar to those used/encountered in many offshore structures. Thus, the design methods used are based on site-specific modifications to the procedures recommended by the American Petroleum Institute rather than the conventional procedures that have been formulated and used for the design of much smaller piles. Pile foundations will experience their maximum loads during the design earthquake. For the Safety Evaluation Earthquake, tension loads of up to approximately 80 to 90 meganewtons (MN) and compression loads of up to approximately 120 to 140 MN were calculated. Due to the economic importance of the SFOBB and the consequences of catastrophic failure in both economic and human terms, the design and analysis of the pile foundations supporting the bridge consider a number of aspects of pile-soil behavior that are normally ignored. Those aspects include: 1) the effects of consolidation and setup, 2) the behavior under dynamic loading, 3) the losses of resistance under cyclic loading, and 4) the load-settlement behavior of the piles under severe cyclic loading conditions. Since the treatment of complex aspects of pile foundation behavior is not codified in any guiding documents, several project-specific methods were developed for design and analysis of the foundation piles.

Jan 1, 2002

By J Webster-Brown

The Tui Mine is an abandoned Pb-Zn mine giving rise to water quality problems in the Te Aroha region of Coromandel, New Zealand. When sampled in September 2002, for example, both the Tui and Tunakohoia Streams draining the mine site exceeded ANZECC (2000) water quality guidelines for aquatic life protection (Cu, Cd and Zn) and recreational quality (Cd). Based on trace metal mass flux (kg/yr) from parts of the mine site, the principal pathways by which Cu, Zn and Cd contamination reach these streams have been identified as:the tailings dam leachate,the diverted stream water from above the dam,the drainage from Adit 5 (which accounts for 95 % of Zn and Cd contamination in Tunakohoia Stream), andto a lesser extent, run-off from waste rock piles below Adit 4 level. Of the various remediation options, which have been proposed for the site, the following are identified as providing the best protection for the Tui and Tunakohoia streams:stabilising the tailings dam embankment and capping the embankment and tailings,constructing and/or cleaning out engineered diversion drains around the perimeter of the tailings dam to divert surface water away from the tailings dam, andinstalling bulkheads within Adit 5. A formal postal survey of the people of Te Aroha (66 respondents from 230 surveys) indicated that their priority was that the site be made safe for the public to visit, and used for recreation. As soil samples in potential recreational areas of the mine site, significantly exceeded guideline values for Cu, Pb, Zn, Cd and As, soil removal or capping clearly also needs to be part of a remediation plan. Development of the site as a historical/ecotourism area was viewed favourably, as this may encourage more visitors to the Te Aroha area as well as educate local residents.

Jan 1, 2003

By B. Gigas, M. Preston, M. Giralico

Optimized mixer settler designs will now handle total flows of over 6,000 m3/hr.Computational Fluid Dynamics (CFD) is a timely and predictable tool for design development. Lightnin has the capability of using numerical analysis methodology to evaluate flow patterns and phase separation. CFD can show performance differences between changes, in mix tanks, in settler geometry, and in liquid depth, against variable flow rates. Understanding the differences allows the development of optimized designs. This paper focuses on the major design components of the mixer settler and how technological advances will lead to further improvements, when designing for today’s largest flow plants.

Jan 1, 2004

F. E. BACHMAN, Buffalo, N. Y. (Communication to the Secretary) : The investigation so fully described by Mr. Laudig was undertaken with the idea of determining if it is possible to learn by expesiment, without an actual trial in the furnace, what economical results can be expected from the use of a given ore-mixture. The research was necessarily preliminary, and the results obtained are only to be depended upon so far as they relate to the samples treated. With the exception of the ores obtained from the stock-piles of the Buffalo Furnace Company, and several samples taken at a neighboring furnace, there is no certainty that the ores represented the average shipments of any mine. For this reason the publication of the names of the ores might do producers a great injustice. The names of the ores arc therefore withheld, and their identity is further .veiled by leaving out of the analyses the phosphorus-contents. The investigation was begun with the preconceived idea that the rate of reduction would be found to be dependent upon the accessibility of the particles of the ore to the action of the reducing-gas. In other words, a spongy, brown hematite or a very fine Mesabi would be the easiest reduced. I had formed a scale with No. 21 first, No. 30 second, No. 1 third, Nos. 5, 24, 25 and the remaining Mesabis fourth, etc , which is sufficient to show how much actual results differ from a judgment based on physical characteristics. The ore expected to be most easily reduced proved to be 25th in the list, while the one placed

Jan 1, 1897

By R. L. Howell, L. C. Atkinson

Typical sedimentary sequences overlying coal seams consist of interbedded sandstones, siltstones, shales, and rider coal seams. In many surface coalmine settings, these sediments are saturated; and prior dewatering of them is necessary for effective and economic mining, including the stacking of saturated spoils. Such sedimentary sections usually have a very low vertical hydraulic conductivity that does not allow them to drain in a timely manner prior to their being stripped. One potential solution is installation of drainwells. Drainwells are small diameter wells that can collect water laterally from the various more permeable layers in the overburden and then gravity drain it to a lower layer – often the coal seam being mined – where it can be removed by pumping wells or sumps located in the bottom of the pit. A ground-water flow model utilizing the 3-dimensional finite element code MINEDW has been used to evaluate the effectiveness of usingdrainwells in a hydrogeologic setting that is typical of the Powder River Basin. A series of numerical simulations were completed using various combinations and spacings of drainwells and pumping wells to dewater the overburden and coal seams. The numerical simulations suggest that drainwells can be a very effective method of overburden dewatering.

Jan 1, 2000

By K. G. Thorne, L. J. Cabri, L. R. Fyffe, D. R. Lentz, D. Hoy

"Mineralization at the Main zone of the Clarence Stream gold deposit in southwestern New Brunswick occurs within a parallel series of quartz veins that occupy a NE-trending, steeply north-dipping, brittle-ductile shear zone related to the nearby terrane-bounding Sawyer Brook fault. This deformation zone cuts volcaniclastic sedimentary and volcanic rocks of the Silurian Waweig Formation, and is intruded by mantle-derived East Branch Brook gabbroic dikes and a number of felsic dikes. Intermittent shear-zone reactivation during local magmatic activity induced heterogeneous deformation and alteration of the country rocks and dikes. The terminal phase of shearing is associated with narrow pegmatite-aplite dikes that grade laterally into granophyric granite, and into an auriferous quartz vein. Gold, aurostibite, and gold-antimony intergrowths, predominantly with vein quartz, are associated with a low ƒO2 sulfide mineral assemblage (pyrrhotite, arsenopyrite, and berthierite) that has a sulfur isotopic signature consistent with a magmatic source. Gold saturation and deposition occurred episodically between 300° and 360°C at low activity of sulfur, predominantly in response to pressure reduction during brittle failure combined with the effects of decreasing temperature and sulfidation reactions during fluid-wall-rock interaction. Geochronological studies demonstrate that the timing of the emplacement of the pegmatite-aplite dikes and associated auriferous veins overlap with that of the Early Devonian Magaguadavic granite. Moreover, the composition of the dikes is consistent with their derivation from this granite as late fractionates. The Main zone of the Clarence Stream deposit is therefore interpreted to be intrusion-related, with the Magaguadavic granite being the ultimate source of the gold-bearing fluids. La minéralisation de la zone principale du gisement aurifère de Clarence Stream dans le sud-ouest du Nouveau Brunswick occupe une série de veines de quartz parallèles dans une zone de cisaillement fragile-ductile de direction NE et à pendage abrupt vers le nord apparentée à la faille de Sawyer Brook avoisinante qui délimite deux terranes. Cette zone de déformation recoupe les roches volcaniclastiques et volcaniques de la Formation de Waweig d’âge Silurien et est recoupée par les dykes de gabbro d’East Branch Brook, d’origine mantellique, ainsi que par divers dykes felsiques. La réactivation intermittente de la zone de cisaillement durant l’activité magmatique locale a entraîné la déformation et l’altération hétérogènes des dykes et de l’encaissant. La phase finale du cisaillement est associée à de minces dykes d’aplite-pegmatite qui passent latéralement à des granites granophyriques, puis à des veines de quartz aurifères. L’or, l’aurostibite et les intercroissances d’or et d’antimoine principalement associées aux veines de quartz sont associés à un assemblage minéral de sulfures à faible ƒO2 (pyrrhotite, arsénopyrite et berthierite) présentant une signature isotopique du souffre compatible avec une source magmatique. La saturation en or et la précipitation a eu lieu épisodiquement entre 300° et 350°C dans des conditions de faible activité de souffre, principalement en réponse à la baisse de pression durant la rupture fragile ainsi qu’aux effets de la baisse de température et aux réactions de sulfuration durant l’interaction entre le fluide et l’encaissant. Les études géochronologiques indiquent que l’âge de la mise en place des dykes de pegmatite-aplite et des veines aurifères qui leur sont associées coïncide avec le granite de Magaguadavic, d’âge Dévonien Précoce. De plus, la composition des dykes est compatible avec une origine provenant de ce granite sous la forme de phases fractionnées tardives. Le gisement principale (Main zone) de Clarence Stream est ainsi considéré comme étant associé aux intrusions, le granite de Magaguadavic étant la source ultime des fluides aurifères."

Jan 1, 2008

By Michael Quadagno

Hudson River Pier 86, home of the historic USS Intrepid Aircraft Carrier and the Intrepid Sea-Air-Space Museum, is currently undergoing a $30M reconstruction. This project involves the demolition of the old timber pile supported pier and construction of a new 150 ft wide by 782 ft long concrete pier, built over the footprint of the old piles. The new pier consists of steel pipe piles, precast concrete pile caps, and a composite deck, made up of precast, prestressed concrete planks and cast-in-place concrete topping. This paper focuses on both the structural design and construction of the new pier, with emphasis on the pile foundation. Pier 86 is unique in that it is required to resist the extremely high lateral loads imposed on it by the permanently moored 898 ft long aircraft carrier during severe storms. A total of 360 steel pipe piles support the new pier. These piles, which are 24 in. in diameter and range in length from 58 ft to 175 ft, were driven down to bedrock. The piles, each having 200 ton allowable capacities, work together to resist the significantly large lateral loads exerted on the pier by the ship. The installation of the piles was unique in that all the piles, including the ?super-longs?, were fabricated to-length offsite, delivered to the site via truck and barge, and installed in one piece, eliminating the need for field splicing. The Pier 86 reconstruction will be completed within an extremely aggressive 18 month schedule, from January 2007 through June 2008. The refurbished aircraft carrier Intrepid will return home in September 2008, and the grand re-opening of the pier will be on Veteran?s Day 2008. This paper provides a case history for owners, government agencies, engineers, and construction professionals that will be faced with the challenges of designing and building new piers.

Jan 1, 2008

By Bret N. Lingwall, Byron Foster

The problem of reliable extreme event modeling of large diameter piles under enormous structural or kinematic loads has gained more attention in recent years. In particular, the soil response around the foundation and impacts to buried adjacent infrastructure has gained interest. One of the principal shortcomings with analysis of large diameter pile foundations under extreme event lateral loading is the reliance on conventional beam on elastic foundation methods, which do not model the soil field response around the pile. These methods are limited for large displacement problems, and for large diameter piles. However, the fundamental interactions between steel and concrete, and structure to soil are difficult to constrain, especially in large strain problems where the structural elements become inelastic. The non-linear interaction of the structural materials and soil is desirable so that assessment of stress changes in the field and effects on adjacent facilities can be modeled. A numerical modeling methodology that addresses these shortcomings has been developed. This method utilizes the interaction of brittle concrete with discrete steel reinforcing and casing in a robust manner capturing inelastic non-linearity in both soil and structure. This paper presents a comparison study of the method, wherein three different validation studies were made to data from full scale laterally loaded pile testing. INTRODUCTION Extreme event lateral loading of deep foundations comes in many forms including earthquakes, landsliding, tsunamis, hurricanes, surface fault rupture, liquefaction induced lateral spreads and many more. These extreme events induce loads on foundations far greater than service or strength loads. Perhaps the most dangerous extreme event loads are those of large soil displacements such as landslides, lateral spreads, and surface fault rupture, wherein the soil surrounding the foundations can move laterally 100 mm to 3 m! In these extreme event loading scenarios, small diameter foundations are pushed past their limits and many engineers prefer large diameter deep foundations for these situations. These deep foundations of diameter 900 mm or greater may be auger cast in place piles, cast in drilled hole piles, cast in steel shell piles, cased or uncased drilled shafts, bored precast piles, etc. For convenience in this paper, large diameter deep foundations will be referred to as Large Diameter Shafts (LDS). In LDS, steel may or may not used as a shell around the perimeter of the concrete and/or as internal tensile reinforcement. The interaction between brittle concrete and ductile steel within and/or along the perimeter of the LDS is critical to understanding the non-linear inelastic behavior of LDS for problems of large lateral displacements from extreme events.

Jan 1, 2018

By Du Sichen, S. Seetharaman, J. A. Bustnes

"The present study deals with the kinetic studies of reduction of some selected transition metal tungstates with hydrogen. The measurements were carried out by the isothermal thermogravimetric method. Shallow powder beds were employed in order to avoid the effects due to transport phenomena affecting the reaction rate. In this way, the chemical reaction rates could be selectively studied. The experiments were carried out in the temperature range 873 - 1173 K. From the experimental data, the activation energies were evaluated and were found to be around 88 kJ / mol in the case of both iron as well as cobalt tungstates indicating the similarities in W-O bonds in both cases. The activation energies obtained are discussed in the light of the position of the transition metal in the periodic table as well as the thermodynamic stabilities of the various tungstates.IntroductionThe tungsten containing hard metals, characterized by high density, belong to a class of two-phase metal matrix composites. While these types of materials have traditionally found their applications within the defence industry as armour-piercing projectiles, counterbalance in helicopters and military aircrafts, outer casings of hand-grenades, etc., commercial applications for this class of alloys also exist, including radiation shields, penetrators for the oil industry, turbines for turbo-jet engines and a wide range of sports related parts. A possible route to the production of these alloys is to reduce the tungstates such as FeW04, Co W04 and NiW04 using a reductant like hydrogen or carbon monoxide. In order to have a better understanding of the processes involved in the production, it is important to have a knowledge of the reduction kinetics for these tungstates. According to the knowledge of the present authors, while the reduction ofNiW04 by hydrogen gas has been investigated earlier in the present laboratorypl no systematic reduction study has been carried out previously for the tungstates of iron, cobalt."

Jan 1, 1996

By S. P. Marsh, M. E. Glicksman

"The effect of capillarity-driven diffusion on the recalescence of mushy zones is studied in pure materials. The solid-liquid mixture is formed by rapid partial solidification of an initially undercooled melt, and the ratio of the two phases is subsequently maintained constant by an externally imposed adiabatic constraint. A novel technique has been developed that permits tracking of the kinetics of the diffusion-controlled evolution process in situ using precision temperature measurements averaged on a length scale larger than that of the microstructure.The mean ""temperature of a mushy zone is slightly below the bulk equilibrium melting point, and is related to a characteristic length scale of the microstructure through an appropriate statistical average of the GibbsThomson equation. Theoretical considerations indicate that the diffusion controlled recalescence will progress as t- l / 3, where t is time. This behavior is experimentally verified for both succinonitrile (SCN) and ethylene carbonate (ETC), which have markedly different morphologies. The kinetic rate constant is observed to increase monotonically with increasing volume fraction of solid in the two-phase mixtures, although a firm theoretical foundation for this result has not been developed.INTRODUCTIONA dispersed multiphase system seeking equilibrium will generally contain variations in the local .free energy density. These density variations arise from such factors as variations in the bulk free energies of the phases and the distribution of interfacial energies. In this study, we examine the kinetics of diffusion-controlled recalescence in 1 solid-liquid mixture of a pure substance at its melting point. This type of two-phase system is particularly convenient to analyze because of the well-characterized physical properties of pure phases (crystals and their melts) and their interfacial energies, and the absence of any solutal effects."

Jan 1, 1986

By Benjamin P. Hay

Complexation of a metal ion to a ligand often results in structural changes that introduce steric strain within the ligand. A design criterior:1 for ligands that will complex metal ions more strongly is to choose Iigar:1d architecture, that minimizes this strain. This paper describes how molecular mechanics models can be used to define the degree of ligand binding site organization in terms of' ,strain energies associated with conformational reorganization and distortion of the binding conformer. This approach yields a method to predict how modifications to ligand structure will affect metal binding affinity.

Jan 1, 1999