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The solubilities of ammonium chloride in aqueous ammonia decreased first and then increased with increasing ammonia concentrations, but the mechanism of this phenomenon has not been clarified. In the present work, the ATR-FTIR and Raman spectroscopy were employed to investigate the corresponding mechanism. The spectra analysis was focused on the region between 2500 and 4000 cm-1. It was firstly discovered that the N-H???N hydrogen bonds between ammonium ions and ammonia molecule was mainly formed in the NH4Cl-NH3-H2O system with concentrations higher than 10% ammonia, but N-H???O hydrogen bonds between ammonium ions and water molecule took advantage in the system with lower ammonia concentrations. Correspondingly, the phenomena of hydrogen bonding redshift and blueshift was observed respectively compared in NH3?H2O solution. Moreover, the hydrogen bonding structure of the saturated solution was obtained by means of MD simulation. The present work provides some theoretical basis for the separation of ammonium potassium chloride. 相似文献
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通过拉曼光谱、同步辐射X射线散射和密度泛函理论(DFT)模拟,研究了质量分数为1.0 %-28.0 %的NH4Cl水溶液的微观结构变化。同时在室温下测量了粘度、接触角和电导率。由拉曼光谱和密度泛函理论模拟结果可知,当溶质浓度升高至10.0 %时,在2900 cm-1和3100 cm-1附近出现了明显的N-H作用峰,且随着质量分数的升高,NH4Cl水溶液中的氢键类型发生了转变。X射线散射结果表明,当NH4Cl水溶液质量分数升高至10.0 %时,差值对分布函数G(r)在2.98 ?附近出现明显双峰,表明在该浓度下溶液中NH4+-Cl-接触离子对开始成为主要微观作用形式。对NH4Cl水溶液的宏观物性研究表明,粘度、接触角和电导率均随着NH4Cl水溶液质量分数的增加而增大。作者推断,NH4Cl水溶液中氢键类型的转变、O-H...N键占比增多以及逐渐增加的NH4+-Cl-接触离子对,是粘度和接触角随溶质浓度增加而增加的微观本质因素;电导率的增加与溶液中有效导电离子数量增加有关。 相似文献
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在Pitzer电解质溶液理论的基础上采用两种模型计算了KCl-K2SO4-KBO2-H2O体系及其子体系的溶解度。模型I假设溶液中只有一种硼物种B(OH)4-,模型II假设溶液中有4种硼物种,分别对应于B(OH)3、B(OH)4-、B3O3(OH)4-和B4O5(OH)42-。模型I与模型II的溶解度计算结果接近,且与实验值吻合较好。采用模型II计算了上述体系溶液中的硼物种和OH-的浓度。各硼物种的浓度主要受溶液中总硼浓度的影响,而很少受KCl和K2SO4的影响。计算结果说明在计算偏硼酸钾溶液体系溶解度时,可近似认为溶液中硼物种只有B(OH)4-。模型II可用于计算含偏硼酸钾体系的pH值。本文的计算结果可为复杂偏硼酸钾体系模型的构建提供理论基础。 相似文献
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Based on Total Suspended Particulates （TSP） observations of Tazhong, Tikanli, Kashi and Minfeng in 2009, combined wa- ter-soluble inorganic ion analyses, this paper studied the spatial and temporal distribution of TSP in the Tarim Basin and analyzed concentration characteristics. The results are as follows： （1） monthly average TSP concentrations shows a similar trend in Tazhong, Tikanli, Kashi and Minfeng with peak values in April-May and low values in November-December. As for the quarter average mass concentration trends, spring has the highest value, followed by summer and autumn, and winter is the lowest; （2） total annual concentration trend of water-soluble inorganic ions in TSP is as follows： Tazhong 〉 Tikanli 〉 Minfeng 〉 Kashi. SO4^2- concentra- tions are 58%, 50%, 54% and 51% of total ion concentration; Ca^2＋ concentrations are 13%, 16%, 16% and 11%; Na^＋ concentra- tions are 12%, 13%, 10% and 12% and Cl^- concentrations are 12%, 16%, 11% and 22%, respectively. Therefore, sulfate, calcium, sodium and chloride ions are the main inorganic components of TSP in the Tarim Basin; （3） the correlation coefficients of anions and cations in Tikanli, Minfeng, Kashi and Tazhong are 0.99, 0.99, 0.25 and 0.91, respectively; the average anion concentrations are 2.57, 2.12, 2.15 and 3.02 times the average cation concentrations, indicating that ions were unbalanced; （4） SO4^2-/NO3^- ratio is much larger than the ratio of coal-fired emissions SO4^2-/NO3^-, thus the impact of fixed emission sources in the four regions on the atmosphere is far greater than that of mobile emission sources. 相似文献
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Li2SO4溶液中离子间的缔合相互作用:基于密度泛函理论和分子动力学模拟的研究 总被引：1，自引：1，他引：0
基于密度泛函理论,使用B3LYP/aVDZ方法对[Li_2SO_4(H_2O)_n]~0(n=0~10、18)水合团簇的结构和性质进行了系统地研究,并结合Car-Parrinello分子动力学(CPMD)模拟了不同浓度的Li_2SO_4溶液结构,目的在于理解在Li_2SO_4溶液中离子间缔合相互作用及可能存在的物种。研究发现,对于[Li_2SO_4(H_2O)_n]~0(n=0~10、18)水合团簇,双配位单齿螯合接触离子对结构比双配位双齿螯合接触离子对结构更稳定,溶剂共享离子对结构最不稳定。同时,CPMD模拟结果表明,在3.09和3.17 mol/kg的Li_2SO_4溶液中,双配位单齿螯合接触离子对结构仍然是主要物种。以上结果表明在饱和的Li_2SO_4溶液(3.16 mol/kg)中,Li~+和SO_4~(2-)离子间的相互缔合作用主要以双配位单齿螯合接触离子对结构的物种存在,而具有双配位双齿螯合离子对结构的物种占少数,溶剂共享离子对结构几乎不存在。 相似文献
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LIU Hong-yan ZHU Fa-yan ZHOU Yong-quan WANG Guang-guo FANG Yan ZHANG Wen-qian HAN Li 《盐湖研究》2019,27(2):53-68
The microhydration structure of nickel sulfate aqueous solution has been determined via density functional theory( DFT) calculation and extended X-ray absorption fine structure( EXAFS) spectroscopy. The geometric optimization and energy calculation of nickel sulfate hydrated clusters of the molecular formula [NiSO_4( H_2 O)_n]~0( n = 1-12) were determined via DFT using the B3 LYP method. Several possible initial structures were considered for clusters of each size to locate the equilibrium geometry.Based on the DFT calculation,the favorable structure of Ni~(2+)includes the six-coordinated form of [NiSO_4( H_2 O)_n]~0 clusters. The results of hydration energy calculation suggest that the six-coordinated contact ion pair( CIP) is the stable configuration for small hydration clusters( n≤5),while the solventshared ion pair( SSIP) represents the favorable structure for medium hydration clusters( 6≤n≤10).The solvent is separated by x water molecules( xSIP,x ≥2 is the number of water molecule between Ni~(2+)and SO_4~(2-)) in larger hydration clusters( n≥11). The EXAFS analysis of the NiSO_4 aqueous solutions and NiSO_4·6 H_2 O solid established that Ni~(2+)was surrounded by six water molecules tightly forming an octahedral structure in the first hydration shell,and no CIP was found from 0. 70 mol/L to 2. 22 mol/L( near saturation). The Ni-O distance and coordinated number were 2. 040 ± 0. 020 ? and 6. 0 ± 1. 0,respectively. These results are consistent with the DFT calculations for [NiSO_4( H_2 O)_n]~0 clusters. DFT and EXAFS are powerful techniques that can be used to enhance the resolution of NiSO_4 solution microstructure. 相似文献
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Assessment of salinity status in intensively cultivated soils under semiarid climate, Murcia, SE Spain 总被引：1，自引：0，他引：1
J.A. Acosta A. FazB. Jansen K. KalbitzS. Martínez-Martínez 《Journal of Arid Environments》2011,75(11):1056-1066
This research presents the results from the assessment of the salinity status of a highly productive agricultural area, under a semiarid climate. The objectives were to: identify the origin of salts, assess seasonal changes of salt contents, and examine spatio-temporal and vertical variability of the presence and composition of salts. Soil samples from the surface horizon, and topsoil samples, soil profiles, water samples and salt precipitates on aggregates were collected in January and July 2009. High electrical conductivity was mainly the result of the poor low quality irrigation water. However, ions responsible for salinity were chlorides, sulfates, calcium, magnesium and sodium, while phosphates, ammonium, nitrates, and potassium were associated with fertilizers. SEM-EDX (scanning electron microscope-energy dispersive X-ray) analyses suggested that calcium sulfate came from both irrigation water and from a pedogenic source, as indicated by differences in crystal morphology and seasonal occurrence, which indicates that primary salinization is also a contributor to soil salinity in the area studied. Significant differences were reported between seasons. The electrical conductivity and concentrations of chloride, sulfates, calcium, magnesium, sodium, potassium, and nitrite are significantly higher in July. The observed differences were caused by the effect of soluble salt movement through evaporation and capillary rise, resulting in precipitation of salts on the surface. Multivariable, GIS and advanced laboratory analysis have confirmed to be useful techniques to identify the salts sources, spatial distribution of anions, and identification of vulnerable areas. 相似文献
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The ecophysiology of under-ice fauna 总被引：2，自引：0，他引：2
ARNE V. AARSET 《Polar research》1991,10(1):309-324
During exposure to low salinity, the under-ice amphipods Gammarus wilkitzkii and Onisimus glacialis appeared as euryhaline osmoregulators, displaying regulation of haemolymph concentrations of sodium and chloride. Free amino acids took part in the regulation. During freezing and brine formation, the amphipods were freeze-sensitive and did not tolerate being frozen into solid ice. However, they could stay in the vicinity of the ice, conforming osmotically to the ambient brine and thus lowering the melting point of the amphipods' body fluids. This prevented internal ice formation in the absence of antifreeze agents (THF) in the haemolymph. When G. wilkitzkii, O. glacialis and Apherusa glacialis were exposed to dilute seawater, elevated rates of oxygen consumption and ammonia excretion were observed. The O:N atomic ratio was kept nearly constant during hyposmotic stress, indicating protein/lipids as metabolic substrate. Rates of oxygen consumption and ammonia excretion increased with increasing osmotic differences between the haemolymph and the medium, indicating higher energy requirements for osmotic and ionic regulation at low salinities. A minor decrease in haemolymph sodium concentrations coincided with the increased ammonia output during hyposmotic stress, indicating a possible counter ion regulation of NH+ 4 and Na+ . An increased rate of oxygen consumption, ammonia excretion and 0:N ratio versus temperature was observed for all species. 相似文献
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离子在离子液体/水溶液二元系统中的电迁移行为在很多领域受到了越来越多的关注。本文通过研究不同条件下离子液体离子在电极液中的浓度变化,系统地研究了电极溶液酸—碱度,电极溶液中电解质浓度以及离子液体中溶解LiN(CF3SO2)2与否对[C6MIm]+离子电迁移的影响。总的来说,随着电流的增加,[C6MIm]+离子向阴极水溶液的迁移量随之增加,向阳极水溶液的迁移量随之减少;然而N(CF3SO2)2-离子向阳极水溶液的迁移量随之增加,向阴极水溶液的迁移量随之减少。当电极溶液为碱性,[C6MIm]+离子的迁移量明显减少。在电极溶液中溶入LiN(CF3SO2)2时或者将LiN(CF3SO2)2溶入离子液体时,[C6MIm]+离子的迁移量也明显受到抑制。 相似文献
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本文采用电动势法对318.15 K下三元体系KBr-K2SO4-H2O的热力学性质进行研究。首先,测定了KBr-H2O溶液中KBr的电动势,线性回归出电极响应斜率κ和电极常数E0,结果表明实验所用离子选择性电极具有良好的能斯特响应。然后,对318.15 K下三元体系KBr-K2SO4-H2O混合溶液中KBr的平均活度系数进行了研究,绘制了离子强度I及离子强度分数yb与KBr的平均活度系数关系图,由图可得,当离子强度I一定,随着离子强度分数 yb增大,KBr平均活度系数逐渐减小,且减小的趋势越来越大。当离子强度分数yb是个定值时,KBr平均活度系数随着离子强度I的增大而减小。应用活度系数数据通过多元线性回归拟合出该温度条件下Pitzer模型混合离子作用参数θBr,SO4和ψK,Br,SO4,并计算了混合溶液中K2SO4的平均活度系数、渗透系数Φ,水活度aw,超额吉布斯自由能GE。应用拟合的Pitzer混合离子相互作用参数和Pitzer模型计算了该三元体系在318.15 K下的溶解度数据,并对计算结果和其他温度下已经报道的KBr-K2SO4-H2O三元体系的共饱和点处的溶解度数据进行比较,对比结果表明,溶解度计算结果可靠,拟合的离子相互作用参数具有较好的精度,可用于计算相关体系的热力学参数和相平衡的预测。 相似文献
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硫酸镁亚型盐湖老卤是MgCl2、MgSO4的饱和溶液体系,富集了Mg、B、Li等元素。本文针对含硼水盐体系热力学难以表达的问题,开展了硼在水盐体系存在形态及其平衡关系的研究。利用易于水解的Mg(BO2)2作为硼源,借助拉曼光谱和X射线衍射(XRD)为检测手段,定量研究Mg(BO2)2在MgSO4-H2O、MgSO4-MgCl2-H2O体系中水解硼物种转化规律。结果表明:(1)Mg(BO2)2在MgSO4溶液中的水解固相为MgB2O(OH)6、MgB4O7·9H2O和Mg(OH)2;在MgSO4-MgCl2-H2O溶液中水解固相为Mg2B6O11·15H2O、MgB4O7·9H2O、Mg2Cl(OH)3·4H2O。(2)Mg(BO2)2在MgSO4溶液中水解,液相硼物种主要有B3O3(OH)-4、B3O3(OH)52-、B(OH)-4、B4O5(OH)42-、H3BO3,其分布受MgSO4浓度影响很大,MgSO4浓度从0增加至饱和,B3O3(OH)-4始终占总硼量的50.07%以上,B3O3(OH)52-占液相总硼从4.77%上升至37.16%为第2化学物种。(3)在MgSO4-MgCl2-H2O溶液中,硼物种的主要形态有B3O3(OH)-4、B3O3(OH)52-、B(OH)-4,其分布 随[Cl22-]/([Cl22-]+[SO42-])变化很大,在MgCl2和MgSO4的共饱溶液中,分别占液相总硼量的58.91%,14.62%和12.81%。(4)液相硼物种之间平衡关系的活度商lnQ,不仅与溶液pH、水活度有关,还与MgSO4、MgCl2摩尔浓度呈二元线性关系,这样就可将硼在H3BO3-NaOH体系物种分布关系的lnQ扩展到 (MgSO4,MgCl2,MgSO4-MgCl2)水溶液的多元体系。由此获得硼物种的量化关系,可为推算硼在水盐体系的物种分布,进而计算含硼电解质溶液热力学性质提供依据。 相似文献
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J. E. Sherwood M. J. Kokkinn W. D. Williams 《International Journal of Salt Lake Research》1994,3(2):159-173
Standard methods for the determination of phosphorus as phosphate ion are now well established for fresh and marine waters. In highly saline waters, however, salt effects due to ionic strength, or to particular ions present, may result in method interferences. Three methods of analysis of phosphate based on the formation of phosphomolybdenum blue complexes have been evaluated here for hypersaline waters. Stannous chloride reduction in aqueous media exhibits a substantial salt effect and its use is not recommended. Stannous chloride reduction following extraction into non aqueous solvents shows a significant salt effect (up to 30 per cent) in solutions of salinity >100 g L–1. Dilution of hypersaline waters to below this salinity may overcome the salt effect but the method suffers from other disadvantages involving resource constraints and health and safety considerations. Ascorbic acid reduction, catalysed by antimony (III) ions, appears to offer the most promise for hypersaline waters. Turbidity in samples having high salinity (> 100 g L–1) and high phosphorus concentrations (> 500 g P L–1) changes the spectral characteristics of solutions but linear calibration curves still result for concentrations in the range 400 to 1,000 g P L–1. The occurrence of turbidity is also affected by the ionic composition of hypersaline waters since solutions made from sea salt give different results to those made from sodium chloride. Dilution of samples, to give salinities less than 100 g L–1 prior to reduction is recommended to avoid turbidity. The salt effect in these lower salinity waters is less than 3 per cent up to 100 g L–1. 相似文献
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中国中东部秋季PM10时空变化及其与日气温的关系 总被引：1，自引：0，他引：1
利用2000-2010年秋季中国中东部83个重点城市的PM10浓度数据以及其中63个城市的逐日气象资料,分析了PM10浓度的时空变化以及晴空条件下PM10浓度与日气温之间的关系,讨论了不同云量条件下二者关系的稳定性以及辐射的相应变化.结果表明:(1)近11年来,秋季PM10浓度呈现下降趋势,全部天气条件下和晴空条件下的线性趋势值分别为-2.87 μg·m-3/年、-4.92 μg·m-3/年;空间分布上,中国中东部重点城市的秋季PM10浓度普遍下降,其中华北地区的下降最快最显著.(2)秋季PM10浓度与日气温的波动之间存在显著相关,定量统计表明:当PM10浓度偏高10 μg·m-3时,日最高气温、日最低气温和日平均气温分别偏低0.15℃、0.14℃和0.16℃,同时气温日较差减小0.01 ℃.(3)秋季日气温的上述变化可能主要与气溶胶的直接效应有关.PM10增多会造成地面总辐射和地表净辐射的显著减少,进而造成日最高气温、日平均气温的显著下降;同时,PM10增多对近地面的影响总体上是致冷效果. 相似文献
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合理开发利用四川盆地地下卤水资源,对卤水体系开展多温相平衡与相图的研究具有重要意义。本文通过等温溶解平衡法对在288 K时五元体系NaCl+KCl+MgCl2+SrCl2+H2O(NaCl饱和)进行了相平衡实验研究,运用化学分析法以及X-ray粉晶衍射法分别确定了在288 K温度条件下该体系的平衡液相和平衡固相组成。通过固液相平衡实验数据,绘制了该五元体系以NaCl为饱和区域的干盐相图、水含量图以及氯化钠含量变化图。研究结果表明在288 K且NaCl饱和条件下,该五元体系干盐相图含有2个五元共饱和点、5条等温溶解度曲线和4个固相结晶区(KCl、MgCl2·6H2O、KCl·MgCl2·6H2O和SrCl2·6H2O)。固相结晶区KCl在该干盐相图中面积最大,其次是SrCl2·6H2O,而MgCl2·6H2O的结晶区面积最小,说明KCl在饱和溶液中的溶解度较小,易析出而得到分离,而MgCl2的溶解度最大,难以从饱和溶液中结晶析出,且MgCl2·6H2O对KCl和SrCl2·6H2O有强烈盐析作用。通过对本体系热力学相平衡实验研究和多温相平衡的对比讨论,揭示了钾锶镁等含氯化物卤水体系在多温相平衡与相图条件下的结晶析盐规律,为液态矿产资源开发利用提供理论指导。 相似文献
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哈萨克斯坦是中亚干旱-半干旱地区最大的内陆国家,东部以阿尔泰山、天山与我国相隔,区内河流众多,是该国水资源的主要来源地,额尔齐斯河、伊犁河是中哈两国重要的跨境河流。通过对哈萨克斯坦东部不同区域河水和湖水的主要离子、氢、氧同位素分析,初步研究了该区域的水化学和同位素空间分布特征及其对地表水循环的指示意义。结果表明：哈萨克斯坦东部河水离子组成以HCO3-Ca为主,局部有HCO3-Na水型分布。湖水以SO4-Na为主,有少量HCO3-Ca和SO4-Ca型水。研究区内水体Ca2+、Na+、SO42-均表现出南北低中间高的空间特征。河水氢、氧同位素变化范围分别为-123.46‰～-71.22‰和-16.09‰～-10.21‰,湖水氢、氧同位素变化范围分别为-97.82‰～-9.20‰和-12.74‰～2.44‰。额尔齐斯河河水与周围补给水体的氢、氧同位素差异显著,表明其主要来源于上游补给。河水和湖水氢、氧同位素关系式分别为δD=7.546×δ18O+3.507和δD=5.737×δ18O-24.14,且河水氢、氧同位素与经、纬度显著相关,反映了明显的内陆效应,而湖水氢、氧同位素的变化则主要反映了水体的蒸发程度,水体氢、氧同位素变化敏感地示踪了该区域水体的来源与循环特征。 相似文献
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柴达木盆地是我国重要的钾肥基地,年产氯化钾超过700×10~4t,副产尾盐超过1 000×10~4t,尾盐的主要组分是氯化钠,并夹带少量的氯化钾。通过精制试验研究,进一步回收氯化钾,氯化钠则作为纯碱原料,实现了尾盐的梯级综合利用,对促进盐湖循环经济发展具有重要意义。试验表明,采用二段洗涤工艺,结合喷淋和搅拌两种洗涤方式处理钾肥生产浮选尾盐,浮选尾盐经二段洗涤所得产品中氯化钠含量达到92.54%,符合纯碱所需原盐指标要求;母液中的氯化钾富集到一定程度后,回收可作为钾肥生产原料。 相似文献