Computational methods for fitting statistical distribution models of multi-site binding equilibria

Statistical distribution models of multi-site binding equilibria have potential applicability in the study of acid-base and metal complexation chemistry of humic substances in soils, sediments, and natural waters. A mathematical derivation is presented for the general continuous model for the case of proton binding; computational methods are described for fitting numerically the parameters in such models. Among models considered are those based on nontruncated, truncated, and bimodal (mixed) distributions. Specific emphasis is placed on Gaussian distribution models.     

气溶胶气候效应的一维模式分析

本文首先采用一线辐射对流模式，分析了乡村型、城市型气溶胶和平流层气溶胶含量增加对全球地表气温的直接影响以及硫酸盐粒子含量增加对全球地表气温的间接影响。然后利用考虑了海洋热惯性作用的ＥＢＭ／ＢＤ模式，模拟了近百年来由于大气中硫酸盐粒子含量变化、火山爆发和大气温室气体浓度增加共同引起的全球地表平均气温变化。结果表明：气溶胶的气候效应在地气系统辐射收支和全球气温变化研究中起着非常重要的作用。     

Nitrogen and sulfur species in Antarctic aerosols at Mawson,Palmer Station,and Marsh (King George Island)

High volume bulk aerosol samples were collected continuously at three Antarctic sites: Mawson (67.60° S, 62.50° E) from 20 February 1987 to 6 January 1992; Palmer Station (64.77° S, 64.06° W) from 3 April 1990 to 15 June 1991; and Marsh (62.18° S, 58.30° W) from 28 March 1990, to 1 May 1991. All samples were analyzed for Na⁺, SO ₄ ^2– , NO ₃ ^– , methanesulfonate (MSA), NH ₄ ⁺ ,²¹⁰Pb, and⁷Be. At Mawson for which we have a multiple year data set, the annual mean concentration of each species sometimes vary significantly from one year to the next: Na⁺, 68–151 ng m^–3; NO ₃ ^– , 25–30 ng m^–3; nss SO ₄ ^2– , 81–97 ng m^–3; MSA, 19–28 ng m^–3; NH ₄ ⁺ , 16–21 ng m^–3;²¹⁰Pb, 0.75–0.86 fCi m^–3. Results from multiple variable regression of non-sea-salt (nss) SO ₄ ^2– with MSA and NO ₃ ^– as the independent variables indicates that, at Mawson, the nss SO ₄ ^2– /MSA ratio resulting from the oxidation of dimethylsulfide (DMS) is 2.80±0.13, about 13% lower than our earlier estimate (3.22) that was based on 2.5 years of data. A similar analysis indicates that the ratio at Palmer is about 40% lower, 1.71±0.10, and more comparable to previous results over the southern oceans. These results when combined with previously published data suggest that the differences in the ratio may reflect a more rapid loss of MSA relative to nss SO ₄ ^2– during transport over Antarctica from the oceanic source region. The mean²¹⁰Pb concentrations at Palmer and Marsh and the mean NO ₃ ^– concentration at Palmer are about a factor of two lower than those at Mawson. The²¹⁰Pb distributions are consistent with a²¹⁰Pb minimum in the marine boundary layer in the region of 40°–60° S. These features and the similar seasonalities of NO ₃ ^– and²¹⁰Pb at Mawson support the conclusion that the primary source regions for NO ₃ ^– are continental. In contrast, the mean concentrations of MSA, nss SO ₄ ^2– , and NH ₄ ⁺ at Palmer are all higher than those at Mawson: MSA by a factor of 2; nss SO ₄ ^2– by 10%; and NH ₄ ⁺ by more than 50%. However, the factor differences exhibit substantial seasonal variability; the largest differences generally occur during the austral summer when the concentrations of most of the species are highest. NH ₄ ⁺ /(nss SO ₄ ^2– +MSA) equivalent ratios indicate that NH₃ neutralizes about 60% of the sulfur acids during December at both Mawson and Palmer, but only about 30% at Mawson during February and March.     

SETTLING PROPERTIES OF COHESIVE AND NON-COHESIVE PARTICULATE MIXTURES IN WATER

1. INTRODUCTIONAs a wide range of size distirbution including usually a certain POrtion of cohesive material is thecommon feature of the sediment constituting hyperconcentrated flows. it is desirable to study the settling properties of mixtures of cohesive and non--cohesjve sediment particles at high concentrations.Past studies on the settling of discrete particles in a suspension of fine cohesjve sediment is scarcein the literature. The Sediment Research Laboratory of Tsinghua Universi…     

Arctic hazes in summer over Greenland and the North American Arctic: II. Nature and concentrations of accumulation-mode and giant particles

Airborne measurements made during August 1985 over Greenland and its environs show that both accumulation-mode (0.1 m D2.0 m) and giant (D2 m) particles were present in relatively high concentrations in arctic haze layers and that the accumulation-mode particles dominated light scattering. Particles with diameters (D) between 1 and 4 m consisted predominately of mixed materials, small and dense inclusions, and probably organic compounds containing sulfur. Many of the particles from 0.1 to 1 m in diameter were also of mixed composition, with sulfuric acid, ammonium sulfate and organics probably the dominant constituents.     

The importance of atmospheric input of terrestrial organic material to deep sea sediments

The concentrations of lipids were determined in atmospheric particle, gas and rain samples collected from the tropical North Pacific to assess lipid sources, transport mechanisms and fluxes to the ocean surface. Four lipid compound classes (aliphatic hydrocarbons, fatty alcohols, fatty acid esters, and salts) all unequivocally show a terrestrial vascular plant source. These aerosol lipids originate from wind erosion of Asian and American soils and direct emission from vegetation. The major fluxes result from rain rather than dry deposition. These fluxes are large enough to have a major potential impact on the inventory of terrestrially derived lipid material found in deep-sea sediments. This has been showm for n-alkanes, fatty alcohols, fatty acids, total lipids and for organic carbon. By comparing atmospheric and sediment trap fluxes with sediment accumulation rates, it is suggested that some biogenic terrestrial material is more protected from degradation than marine-derived material.     

Transport and deposition of suspended particles in saturated porous media: hydrodynamic effect

A laboratory study was undertaken to determine the transport and deposition rate of suspended particles in columns of saturated porous media (gravel and glass beads), where the porous media were subjected to steady-state flow. Silt particles with a mode of 14 μm diameter (used as the suspended particles) and fluorescein (as the conservative tracer) were injected into the columns in short pulses. The breakthrough curves were competently described with the analytical solution of a convection–dispersion equation with a first-order deposition rate. The experiments were performed using different flow rates. The suspended particle size distribution, the porous media, and the flow rates themselves were the main factors retained in this study to investigate the mechanisms governing the transport and deposition kinetics in detail. The results showed the existence of a flow rate, beyond which suspended particles travel faster than the conservative tracer. A decrease of the deposition rate of suspended particles beyond a critical flow velocity was also observed. Such behaviour led to consideration of the couple hydrodynamic-gravity forces at high flow rates. As the hydrodynamic force increases, particle deposition rates are reduced due to the effect of hydrodynamic forces inhibiting the deposition.     

Paleolimnological assessment of human impacts on an urban South African lake

North End Lake is a polluted and eutrophic freshwater system located in Port Elizabeth, South Africa. Since the lake is expected to be used for recreational/tourist purposes by 2010, a rehabilitation program will have to be designed. For this reason, we retrieved a sediment core from the central region of the lake to decipher the effect of historical human impacts on the water body. Pre-disturbance paleolimnological inferences indicate that the lake was likely mesotrophic. After ∼1831, when sheep farming activities were undertaken in the catchment, increases in trophic state and changes in sediment composition were observed. After ∼1937, increases in trace metal levels, organic matter, spheroidal carbonaceous particles (SCP) and changes in sediment composition were recorded. The system became eutrophic as indicated by the dominance of the diatom Actinocyclus normanii, a cosmopolitan species often observed in systems where water quality has been dramatically degraded. The conditions worsened after 1986 because of the construction of a storm-water retention system, which intentionally channeled storm-water runoff into the lake. Because of this, extremely high values of fecal coliforms (i.e. 2 × 10⁶ every 100 ml) have been measured in the water column. The paleolimnological information identified the sharp increase in organic content in the uppermost section of the core, and this could be correlated to the operation of the storm-water retention system. Therefore, as an immediate management measure, we suggest that the storm-water retention system should either no longer be utilized, or the storm-water runoff should be treated before disposal into the lake. In addition, an effective sewage system has to be constructed.     

Quantitative description of electron precipitation during auroral absorption events in the morning/noon local-time sector

Flux-energy spectra of precipitating electrons are derived from electron density profiles measured by the EISCAT radar during auroral absorption events in the morning/noon local-time sector. The inversion technique uses effective recombination coefficient profiles computed on the basis of a previously validated theoretical model of the lower ionosphere. It is shown that flux-energy spectra for the energy range 30–200 keV are in reasonable agreement with those derived for the same events using trapped flux-energy spectra from geosynchronous satellite data and a model for diffusion of trapped electrons into the loss cone by scattering on whistler waves. During individual events, strongly varying precipitating fluxes are found to be due primarily to varying pitch-angle diffusion.     

考虑湿度影响的城市气溶胶夜晚温度效应

本文利用一维非定常模式，研究了城市上空干、湿气溶胶粒子对夜间边界层温度的影响。结果表明，湿气溶胶粒子对低层大气有明显的升温作用，而对中上层大气则起降温作用，同时改变了贴地逆温层结构和边界层稳定度。