948 research outputs found

    Low Cost Dewatering of Waste Slurries

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    The U.S. Bureau of Mines has developed a technique for dewatering mineral waste slurries which utilizes polymer and a static screen. A variety of waste slurries from placer gold mines and crushed stone operations have been successfully treated using the system. Depending on the waste, a number of polymers have been used successfully with polymer costs ranging from 0.05to0.05 to 0.15 per 1,000 gal treated. The dewatering is accomplished using screens made from either ordinary window screen or wedge wire. The screens used are 8 ft wide and 8 ft long. The capacity of the screens varies from 3 to 7 gpm/sq. ft. The water produced is acceptable for recycling to the plant or for discharge to the environment. For example, a fine grain dolomite waste slurry produced from a crushed stone operation was dewatered from a nominal 2.5 pct solids to greater than 50 pct solids using 0.10to0.10 to 0.15 worth of polymer per 1,000 gal of slurry. The resulting waste water had a turbidity of less than 50 NTU and could be discharged or recycled. The paper describes field tests conducted using the polymer-screen dewatering system

    Studying patterns of use of transport modes through data mining - Application to U.S. national household travel survey data set

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    Data collection activities related to travel require large amounts of financial and human resources to be conducted successfully. When available resources are scarce, the information hidden in these data sets needs to be exploited, both to increase their added value and to gain support among decision makers not to discontinue such efforts. This study assessed the use of a data mining technique, association analysis, to understand better the patterns of mode use from the 2009 U.S. National Household Travel Survey. Only variables related to self-reported levels of use of the different transportation means are considered, along with those useful to the socioeconomic characterization of the respondents. Association rules potentially showed a substitution effect between cars and public transportation, in economic terms but such an effect was not observed between public transportation and nonmotorized modes (e.g., bicycling and walking). This effect was a policy-relevant finding, because transit marketing should be targeted to car drivers rather than to bikers or walkers for real improvement in the environmental performance of any transportation system. Given the competitive advantage of private modes extensively discussed in the literature, modal diversion from car to transit is seldom observed in practice. However, after such a factor was controlled, the results suggest that modal diversion should mainly occur from cars to transit rather than from nonmotorized modes to transi

    Hydrogen bonding in infinite hydrogen fluoride and hydrogen chloride chains

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    Hydrogen bonding in infinite HF and HCl bent (zigzag) chains is studied using the ab initio coupled-cluster singles and doubles (CCSD) correlation method. The correlation contribution to the binding energy is decomposed in terms of nonadditive many-body interactions between the monomers in the chains, the so-called energy increments. Van der Waals constants for the two-body dispersion interaction between distant monomers in the infinite chains are extracted from this decomposition. They allow a partitioning of the correlation contribution to the binding energy into short- and long-range terms. This finding affords a significant reduction in the computational effort of ab initio calculations for solids as only the short-range part requires a sophisticated treatment whereas the long-range part can be summed immediately to infinite distances.Comment: 9 pages, 4 figures, 3 tables, RevTeX4, corrected typo

    Life events and travel behavior exploring the interrelationship using UK Household Longitudinal Study data

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    Recent research has indicated that changes in travel behavior are more likely at the time of major life events. However, much remains to be learned about the extent to which different life events trigger behavioral change and the conditions under which life events are more likely to trigger change. The UK Household Longitudinal Study (UKHLS) offers a previously unavailable opportunity to investigate this topic for a large, representative sample of the UK population. UKHLS data were also linked to local spatial data drawn from the census and other sources to elucidate the effect of the spatial context on changes to travel behavior in association with life events. Findings from an exploratory analysis of data from UKHLS Waves 1 and 2 are presented first Transition tables demonstrate a strong association between changes in car ownership and commute mode and the following life events: employment changes, residential relocation, retirement, the birth of children, and changes in household structure. The results of logit models that relate the probability of an increase and a decrease in the number of cars owned to the occurrence of life events and that control for individual and household characteristics and spatial context are then shown. These models show, for example, that moves to urban and rural areas have contrasting effects on travel behavior and that having a new child in itself is not a significant influence on car ownership in the short term

    An Exploration of the Ozone Dimer Potential Energy Surface

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    The (O3)2 dimer potential energy surface is thoroughly explored at the ab initio CCSD(T) computational level. Five minima are characterized with binding energies between 0.35 and 2.24 kcal/mol. The most stable may be characterized as slipped parallel, with the two O3 monomers situated in parallel planes. Partitioning of the interaction energy points to dispersion and exchange as the prime contributors to the stability, with varying contributions from electrostatic energy, which is repulsive in one case. Atoms in Molecules analysis of the wavefunction presents specific O⋯O bonding interactions, whose number is related to the overall stability of each dimer. All internal vibrational frequencies are shifted to the red by dimerization, particularly the antisymmetric stretching mode whose shift is as high as 111 cm−1. In addition to the five minima, 11 higher-order stationary points are identified

    The Magnitude and Mechanism of Charge Enhancement of CH∙∙O H-bonds

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    Quantum calculations find that neutral methylamines and thioethers form complexes, with N-methylacetamide (NMA) as proton acceptor, with binding energies of 2–5 kcal/mol. This interaction is magnified by a factor of 4–9, bringing the binding energy up to as much as 20 kcal/mol, when a CH3+ group is added to the proton donor. Complexes prefer trifurcated arrangements, wherein three separate methyl groups donate a proton to the O acceptor. Binding energies lessen when the systems are immersed in solvents of increasing polarity, but the ionic complexes retain their favored status even in water. The binding energy is reduced when the methyl groups are replaced by longer alkyl chains. The proton acceptor prefers to associate with those CH groups that are as close as possible to the S/N center of the formal positive charge. A single linear CH··O hydrogen bond (H-bond) is less favorable than is trifurcation with three separate methyl groups. A trifurcated arrangement with three H atoms of the same methyl group is even less favorable. Various means of analysis, including NBO, SAPT, NMR, and electron density shifts, all identify the +CH··O interaction as a true H-bond

    Torn between two targets: German police officers talk about the use of force

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    Considering earlier research into police use of force as well as the judicial and practical frame of police work in Germany, the article presents the results of an empirical study on the individual and collective legitimization of the use of force by German police officers. There are numerous justifications for the use of force expressed by focus group participants in eight German Federal States who were responding to a hypothesized scenario. In the discussions observed within the groups, reference is first made to the state’s duty to prosecute alleged offences and the measures or formal actions to do this—hence, the legal authority to use force. In the course of the discussions, however, it became obvious that illegal violence may occur, although it was not perceived as such by the officers. Overall, and after an intensive analysis of the focus group discussions, it can be stated that use of force (whether legal or not) depends on the police officer’s perception of the resistance of the person being engaged with. In this regard, different social–cultural or physical–material factors can be identified. They have different influences on the individual legitimization of police actions, intertwined with the perception of the situation as constructed by the officer. Three ways of perceiving the situation can be deduced, resulting in different patterns of justification for the use of force

    Effects of Charge and Substituent on the S∙∙∙N Chalcogen Bond

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    Neutral complexes containing a S···N chalcogen bond are compared with similar systems in which a positive charge has been added to the S-containing electron acceptor, using high-level ab initio calculations. The effects on both XS···N and XS+···N bonds are evaluated for a range of different substituents X = CH3, CF3, NH2, NO2, OH, Cl, and F, using NH3 as the common electron donor. The binding energy of XMeS···NH3 varies between 2.3 and 4.3 kcal/mol, with the strongest interaction occurring for X = F. The binding is strengthened by a factor of 2–10 in charged XH2S+···NH3 complexes, reaching a maximum of 37 kcal/mol for X = F. The binding is weakened to some degree when the H atoms are replaced by methyl groups in XMe2S+···NH3. The source of the interaction in the charged systems, like their neutral counterparts, is derived from a charge transfer from the N lone pair into the σ*(SX) antibonding orbital, supplemented by a strong electrostatic and smaller dispersion component. The binding is also derived from small contributions from a CH···N H-bond involving the methyl groups, which is most notable in the weaker complexes

    Substituent Effects in the Noncovalent Bonding of SO2 to Molecules containing a Carbonyl Group. The Dominating Role of the Chalcogen Bond

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    The SO2 molecule is paired with a number of carbonyl-containing molecules, and the properties of the resulting complexes are calculated by high-level ab initio theory. The global minimum of each pair is held together primarily by a S···O chalcogen bond wherein the lone pairs of the carbonyl O transfer charge to the π* antibonding SO orbital, supplemented by smaller contributions from weak CH···O H-bonds. The binding energies vary between 4.2 and 8.6 kcal/mol, competitive with even some of the stronger noncovalent forces such as H-bonds and halogen bonds. The geometrical arrangement places the carbonyl O atom above the plane of the SO2 molecule, consistent with the disposition of the molecular electrostatic potentials of the two monomers. This S···O bond differs from the more commonly observed chalcogen bond in both geometry and origin. Substituents exert their influence via inductive effects that change the availability of the carbonyl O lone pairs as well as the intensity of the negative electrostatic potential surrounding this atom
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