Lithium Behavior in Salt-water System Explored by Molecular Dynamics Simulation

The molecular dynamics simulation method was adopted to study the transient characteristics of Li^+,CO3^2-,and SO4^2- in Na^+,K^+,Li^+,Cl^-,and SO4^2-/H2O system.The composition of Na^+,K^+,Li^+,Cl^-,SO4^2- and CO3^2- was selected to optimize the initial structural model and conduct dynamic simulation.The mean azimuth shift and diffusion coefficient of Li^+,CO3^2-,and SO4^2- in the system,the radial distribution function and potential energy between Li^+ and -OW,SO4^2- and -OW as well as CO3^2- and -OW,and the dielectric constant of hydrogen bond were expounded and analyzed.At the same time,the Li enrichment behavior in the evaporation process of salt lake brine was analyzed based on the simulated data.The results show that the simulation results are in good agreement with the experimental values,which verifies that,compared with other ions,the crystallization of Li^+ and SO4^2- occurs earlier after reaching saturation.

Effects of Groundwater with Various Salinities on Evaporation and Redistribution of Water and Salt in Saline-sodic Soils in Songnen Plain,Northeast China

Groundwater mineralization is one of the main factors affecting the transport of soil water and salt in saline-sodic areas.To investigate the effects of groundwater with different levels of salinity on evaporation and distributions of soil water and salt in Songnen Plain,Northeast China,five levels of groundwater sodium adsorption ration of water(SARw)and total salt content(TSC mmol/L)were conducted in an oil column lysimeters.The five treated groundwater labeled as ST0:0,ST0:10,ST5:40,ST10:70 and ST20:100,were prepared with NaCl and CaCl2 in proportion,respectively.The results showed the groundwater evaporation(GWE)and soil evaporation(SE)increased firstly and then decreased with the increase of groundwater salinity.The values of GWE and SE in ST10:70 treatment were the highest,which were 2.09 and 1.84 times the values in the ST0:0 treatment with the lowest GWE and SE.There was a positive linear correlation between GWE and the Ca^(2+)content in groundwater,with R^(2)=0.998.The soil water content(SWC)of ST0:0 treatment was significantly(P<0.05)less than those of other treatments during the test.The SWC of the ST0:0 and ST0:10 treatments increased with the increase of soil depth,while the other treatments showed the opposite trend.Statistical analysis indicated the SWC in the 0–60 cm soil layer was positively correlated with the groundwater TSC and its ion contents during the test.Salt accumulation occurred in the topsoil and the salt accumulation in the 0–20 cm soil layer was significantly(P<0.05)greater than that in the subsoil.This study revealed the effects of the salinity level of groundwater,especially the Ca^(2+)content and TSC of groundwater,on the GWE and distributions of soil water and salt,which provided important support for the prevention and reclamation of soil salinization and sodificaton in shallow groundwater regions.

Dynamic Water and Salt Changes in Saline Wasteland on the Lower Edge of Plain Reservoirs in the Desert Oasis Region

In order to reveal the distribution characteristics of water and salt in the non-irrigated saline wasteland and the growth zone of the windbreaks surrounding the plain reservoir,the groundwater and soil monitoring points were set up around the south area of Duolang Reservoir in the desert oasis.Monthly groundwater depth monitoring and soil water content and salt content fixed-point sampling for a period of 2 years were conducted.The results showed that the groundwater depth of salt wasteland in the area around the reservoir area changed slightly during the monitoring period of 2 years,and the average is 1.28 m.The soil moisture content increased with the increase of soil depth,and soil water content of 60-100 cm was larger than that of other soil layers.The salt content of the soil in the salt wasteland varied between 0.48 g/kg and8.86 g/kg in the two years,and the total salt content of different soil decreased with the increase of soil depth.The soil salt content changed greatly in 0-40 cm soil layers,with significant salt accumulation phenomenon.The soil salt content of windbreaks was significantly lower than that of the natural ecological forest.

煤矸石-铝盐改性粉煤灰联合净化复合污染矿井水动态试验

为解决矿井水中F^(-)、Fe^(2+)、Mn^(2+)和化学需氧量(Chemical Oxygen Demand,COD)污染超标问题,采用煤矸石(Coal Gangue,CG)与铝盐改性粉煤灰(Al-FA)做吸附剂,通过动态柱试验探究CG和Al-FA对F^(-)、Fe^(2+)、Mn^(2+)和COD去除效果的影响。利用扫描电子显微镜(SEM)、X射线能谱(EDS)、X射线衍射(XRD)和傅里叶红外光谱(FT-IR)等手段对CG和Al-FA进行测试,以分析两种工业固废对复合污染矿井水的净化机理。试验结果显示:进水流速为4 mL/min,CG填充质量为200 g时,CG动态柱对Fe^(2+)和Mn^(2+)的吸附质量比最高分别为25.03 mg/g和11.73 mg/g;进水流速为4 mL/min,Al-FA填充质量为1000 g时,Al-FA动态柱对F^(-)和COD的吸附质量比最高分别为3.35 mg/g和14.22 mg/g。CG动态柱和Al-FA动态柱串联5 d时,对F^(-)、Fe^(2+)、Mn^(2+)和COD去除率皆高于95%。CG对F^(-)、Fe^(2+)和Mn^(2+)的去除主要通过静电引力吸附、离子交换和表面配位吸附作用。Al-FA主要通过Al3^(+)水解产生的多核羟基络合物的吸附电中和絮凝作用及离子交换作用去除F^(-)和COD。CG与Al-FA的联合使用,达到了同步去除F^(-)、Fe^(2+)、Mn^(2+)和COD的目的。研究为净化矿区矿井水提供了一种有效且环保的方法。

Salting-in/Salting-out Mechanism of Carbon Dioxide in Aqueous Electrolyte Solutions

The solvation of carbon dioxide in sea water plays an important role in the carbon circle and the world climate. The salting-out/salting-in mechanism of CO2 in electrolyte solutions still remains elusive at molecule level. The ability of ion salting-out/salting-in CO2 in electrolyte solution follows Hofmeister Series and the change of water mobility induced by salts can be predicted by the viscosity B-coefficients. In this work, the chemical potential of carbon dioxide and the dynamic properties of water in aqueous NaCl, KF and NaClO4 solutions are calculated and analyzed. According to the viscosity B-coefficients, NaClO4 （0.012） should salt out the carbon dioxide relative to in pure water, but the opposite effect is observed for it. Our simulation results suggest that the salting-in effect of NaClO4 is due to the strongly direct anion-CO2 interaction. The inconsistency between＂ Hofmeister Series and the viscosity B-coefficient suggests that it is not always right to indicate whether a salt belongs to salting-in or salting-out just from these properties of the salt solution in the absence of solute.

Soil salt leaching under different irrigation regimes: HYDRUS-1D modelling and analysis

Field irrigation experiments were conducted in the Hetao Irrigation District of Inner Mongolia,China,to study the effects of irrigation regimes on salt leaching in the soil profile.The data were used to calibrate and validate the HYDRUS-1D model.The results demonstrated that the model can accurately simulate the water and salt dynamics in the soil profile.The HYDRUS-1D model was then used to simulate 15 distinct irrigation scenarios.The results of the simulation indicated that irrigation amount did not have a significant effect on soil water storage but that increases in irrigation amount could accelerate salt leaching.However,when the irrigation amount was larger than 20 cm,the acceleration was not obvious.Compared with irrigating only once,intermittent irrigation had a better effect on increasing soil water storage and salt leaching,but excessive irrigation times and intervals did not improve salt leaching.In addition,we found that the irrigation regime of 20 cm,irrigated twice at 1-d intervals,might significantly increase salt leaching in the plough layer and decrease the risks of deep seepage and groundwater contamination.

Regulation and decision system of water, fertilizer and salt in salinized farmland based on WebGIS

In this paper, aiming at the problems of insufficient soil nutrients and high salt content in Wudi core demonstration area of Bohai Granary, a monitoring and management system of water, fertilizer and salt in saline-alkaline farmland based on WebGIS was established in order to monitor and control water, fertilizer and salt. Based on the Windows.NET platform, using B/S mode of operation architecture and Visual Studio 2010 as the software development environment, the related components in ArcGIS Engine were invoked by ArcGIS API for Silverlirht, and the WEB system was developed by C# and XMAL language. Based on the principle of water, fertilizer and salt balance, a monitoring model and a regulation model for water, salt and nutrients were established. Intelligent analysis and application of farmland soil data were realized, and a precision agriculture system with data query, early warning diagnosis, monitoring and control of water, fertilizer and salt was formed. And the "water and salt homologue, water supply due to demand, adequate and multiple" irrigation scheme and the salt and alkali reduction scheme of "synergistic conditioning of agents and nutrients" and a nutrient regulation plan for "stabilizing nitrogen, increasing phosphorus, supplementing potassium at the discretion" and "quick-acting combining slow release" were put forward. Compared with the period without monitoring and control of water and salt, the effect of water saving and fertilizer saving was improved, and the yield of wheat and maize was also significantly increased. It provided guidance for local users to increase crop production and income, and greatly improved the utilization of resources and grain production.

微咸水灌溉下粉垄耕作土壤水盐运移特性

【目的】明确微咸水灌溉条件下粉垄耕作土壤水分入渗规律及水盐运移特征。【方法】基于室内土箱试验,分析3种微咸水矿化度(0g/L(S1)、3g/L(S2)和5g/L(S3))和2种耕作(粉垄耕作(FL)和传统翻耕(FG))条件下的土壤水分入渗特征和水盐运移规律。【结果】水分平均入渗速率和垂直湿润锋推进速率随着微咸水矿化度的升高呈先增大后减小的变化趋势,水平湿润锋运移速度随着微咸水矿化度的升高而持续增加。FL处理下的土壤水分入渗速率、湿润锋推进速率相比FG处理有明显提升。Kostiakov模型可较好地拟合2种耕作措施下的土壤累积入渗量与入渗时间之间的关系(R^(2)>0.99)。灌溉后20 d,FL处理下的土壤含水率均小于相同微咸水矿化度下的FG处理;同一耕作措施下,土壤含水率随着微咸水矿化度的升高而增加。【结论】微咸水灌溉与粉垄耕作对土壤水分入渗、土壤湿润锋运移和土壤水盐再分布具有改善作用。与灌溉前相比,灌溉后20 d,FL处理下的土壤平均脱盐率为42.95%~55.98%,而FG处理下的土壤平均脱盐率为32.34%~43.29%。随着矿化度的增加,FL处理下的平均土壤电导率相比FG处理分别下降22.38%、18.54%和15.68%。

秸秆和氮肥耦合管控对盐渍化土壤地力综合效应的影响

为研究河套灌区盐渍化土壤秸秆配施氮肥模式下土壤水盐迁移特征规律,明晰该模式下地力提升综合评价效应,通过田间试验,设置3种秸秆还田量[无秸秆还田(C0)、4500 kg·hm^(-2)( C1)、9000 kg·hm^(-2)( C2)]和3种施肥水平[不施氮(N0)、传统施氮量减氮30%即210 kg·hm^(-2)( N1)、300 kg·hm^(-2)( N2)]。结果表明:灌水后秸秆隔层形成了“蓄水层”和“隔盐层”,秸秆隔层及上层土壤储水量较无秸秆还田显著提高22.19%、脱盐率提高18.20%,在秸秆下层土壤呈现不同程度积盐,耕层土壤盐分始终随秸秆还田量的增加而降低,C2处理脱盐效果最好。秸秆腐解呈指数衰减趋势增长,秸秆腐解速率前60 d快,后90 d逐渐减缓。秸秆还田量和施氮量均对秸秆腐解有显著影响,C2N2处理秸秆累计腐解率为67.02%,较C2N0处理提高29.57%,配施氮肥可刺激秸秆中有机物分解和营养物质释放。单施氮肥严重降低了土壤有机质和养分的供应,同时添加秸秆明显降低了土壤无机氮的残留量。秸秆还田与氮肥的互作对玉米产量有极显著影响,C2处理玉米产量随施氮量的增加呈先增后减趋势。氮素过多会抑制秸秆腐解,降低土壤中养分的积累,从而影响作物生长,C2N1处理的产量最高为16985 kg·hm^(-2),较当地常规施肥C0N2处理提高9.47%。综合考虑土壤结构、水盐运移、养分释放及作物产量,采用熵值法建立综合评价回归模型,结果表明玉米秸秆还田量9000 kg·hm^(-2)配施氮肥210 kg·hm^(-2)为最佳模式。

基于SWAP模型的耕地-盐荒地-沙丘-海子水盐动态分析

为探讨盐荒地、沙丘和海子对耕地排盐的作用和机理,于2013—2016年在内蒙古河套灌区张连生研究区展开试验,利用土壤水分、盐分以及地下水盐分、埋深变化的观测数据,经SWAP模型率定和验证,对试验区水盐动态变化进行模拟和分析。结果表明,SWAP模型能够较好地反映试验区各地土壤水盐的垂直动态变化规律。模型验证结果显示,土壤水分的均方根误差均小于0.03 cm^3·cm^(-3),土壤盐分均方根误差均小于0.12 g·kg^(-1),且二者平均相对误差均小于16%。地下水动态分析表明试验区地下水走向基本为从西北流向东南。研究表明,耕地含水量受灌水影响较大,水分逐渐向深层渗漏并侧向补给盐荒地和沙丘。沙丘表层含水量低,而深层水分可侧向补给耕地、盐荒地。耕地盐分在灌溉期向盐荒地和沙丘运移,最终汇集到海子,盐荒地在作物的生育期积累盐分,而盐分在秋浇期流失。耕地和盐荒地的地下水在灌溉期侧向补给沙丘和海子,非灌溉期由沙丘的地下水侧向补给耕地、盐荒地及海子。

聚合物盐水钻井液缓蚀剂WJF-1性能

在钻井工程中 ,钻具腐蚀是普遍存在的问题 ,且随着钻井向高速、深井方向发展而日趋严重。利用线性极化法、极化曲线法、室内动态挂片失重法以及现场试验 ,考察了复配缓蚀剂WJF 1对聚合物盐水钻井液的缓蚀性能。电化学试验表明 ,缓蚀剂WJF 1是以阳极抑制为主的混合型缓蚀剂 ,它的各组分有较好的缓蚀协同效应 ;室内模拟试验 (温度为 80℃、转速为 2 0 0 0r/min、连续通氧 )和现场试验中 ,复合缓蚀剂WJF 1的缓蚀率分别达到 96 %和 90 %以上 ,说明缓蚀剂WJF

盐蚀-动水条件下沥青混合料性能损伤评价

盐蚀环境对沥青混合料耐久性劣化作用具有普遍性和直接性。为探究盐分-水-温度-荷载共同作用下沥青混合料宏观力学性能损伤演化规律,采用自行研制的沥青混合料动水-盐蚀冲刷试验仪,合理设置试验参数,以25℃劈裂强度指标评价盐蚀-动水条件下沥青混合料力学性能损伤程度,利用灰熵分析与t检验研究冲刷温度、冲刷次数、盐浓度对沥青混合料常温劈裂强度的影响显著性。借助扫描电子显微镜(SEM)与红外光谱(FTIR)技术,探究了盐蚀-动水条件下沥青混合料性能劣化机理。研究结果表明:盐分-水-温度-荷载共同作用严重劣化了沥青混合料宏观力学性能;动水冲刷进一步加剧了沥青混合料盐蚀损伤进程且其影响作用最为显著。研究成果可为富盐地区沥青混合料材料组成设计及耐久性预估提供重要参考。

DYNAMICS OF THE KUROSHIO INTRUSION INTO THE SOUTHEAST CHINA ADJACENT WATERS-A NUMERICAL STUDY

A series of numerical experiments have been carried out to study the dynamics of the Kuroshio intrusion into the north South China Sea (SCS) and the East China Sea (ECS). The Kuroshio itself can intrude into the SCS through the middle Luzon Strait, and into the ECS northeast to Taiwan and west of Tokara Strait. An inshore current from the north SCS through Taiwan Strait, shelf region of the ECS and to the Korea Strait is induced. The numerical experiments show that the momentum advection plays a substantial role in generating the NW Luzon Cyclonic Gyre (NWLCG) and has great influence on the pathway of the SCS Branch of the Kuroshio. The NWLCG is thus partly of inertial recirculation recirculation. Topography is a key factor for the formation of the circulation in the study area. The beta effect and momentum advention may intensify the Kuroshio intrusion northeast of Taiwan to a certain degree, but not large.

LiCl-NaCl-KCl-H_(2)O溶液体系水活度的分子动力学模拟

盐湖卤水中含有大量的锂、钾资源,研究卤水的水活度的预测模型和方法对于资源的综合利用具有重要的意义。采用分子动力学模拟方法结合Kirkwood-Buff溶液理论研究了LiCl-NaCl-KCl-H_(2)O溶液体系及其子体系的离子—水相互作用,计算了水活度。溶液的离子强度范围从1.0 mol·kg^(-1)至6.0 mol·kg^(-1)。模拟计算结果与实验值和Dinane-Pitzer模型计算值的变化趋势相一致。研究并讨论了体系中离子—水相互作用对水活度及相关热力学量的影响。

RSO_(3)^(-+)N(CH_(3))_(2)R'型两性蛇笼树脂的合成及其吸附H_(2)SO_(4)性能研究

以回收利用酸性废水中的H_(2)SO_(4)为目标,利用互贯法制备了含有—NR_(2)H^(+)和—SO_(3)-阴、阳功能基团的两性蛇笼树脂,并进行磺酸基分配系数测定、红外光谱表征、总交换量测定、静态吸附和动态吸附-脱附研究。结果表明,反应前4 h温度为80℃、后4 h温度为70℃、n(NR_(2)H+):n(SO_(3)-)=1:1.5为树脂的最佳合成条件。吸附过程主要是以内盐键为吸附位点的Langmuir型单分子层化学吸附,且符合拟一级动力学模型。树脂吸附量随温度升高而降低,室温下最大吸附量为4.1 mmol/g,在35 min时即可达到吸附平衡,用去离子水即可实现两性蛇笼树脂的脱附再生。

基于SahysMod模型的节水条件下河套灌区水盐动态模拟

【目的】探明不同节水条件下河套灌区水盐动态的长期演化趋势,为河套灌区适宜节水规模及灌排管理提供数据支撑。【方法】以河套灌区为研究对象,综合考虑气象、水文地质、土壤、灌溉、作物等多因素的空间变异性,结合SahysMod分布式模型与GIS软件,基于2007-2012年和2013-2016年的实测数据对模型进行率定及验证,模拟不同情景方案下的水盐动态变化。【结果】在现有灌排条件下,年排水量呈先减小后逐渐稳定的趋势,年排水量平均值为5.31亿m3;灌区中上游耕地土壤盐分轻微减小,下游明显增加;综合考虑灌区节水与下游乌梁素海生态环境需水,灌区未来引水量在现有基础上最多可减少15%,最多可节约6.46亿m^(3)水量;若田间灌溉量维持不变,渠系水利用系数(η)最多可提高17.6%;当总引水量的削减量相同时,田间灌溉量削减方案对提升灌区排盐能力效果较佳。因此,可优先考虑减少田间灌溉量,其次提高η。【结论】在灌区规模节水的同时,需综合考虑下游生态环境需求,结合灌区实际生态补水条件确定最佳用水管理方案。

新工科背景下土壤水分下渗实验优化设计

为顺应新时代对大学生创新探索能力的培养要求,实验工程教育专业认证中实验教学环节目标由“掌握知识”逐渐转变为“培养能力”。基于该教育理念,本文优化水文学原理课程实践教学环节的土壤水分下渗实验内容,在原有定水头供水下渗基础上,补充探索性的实验内容,设计变水头供水土壤水分下渗实验,揭示土壤水盐动态规律的驱动机制;充分调动学生开展实验研究的积极性,加深理解实验原理及其背后的科学理论;并充分挖掘实验数据内涵,培养学生缜密的科研思维、激发学生的实践创新意识。

不同水分对白茎盐生草(Halogeton arachnoideus)根区土壤水盐动态及其生长的影响

为研究不同水分条件下白茎盐生草根区土壤水盐动态变化及生长规律,采用桶栽试验,以水分和植被生长为控制因素;探索了白茎盐生草生长对土壤水盐动态的影响及土壤水分对白茎盐生草生长的影响。结果表明:土壤含水率随土层深度增加而增大,呈“反S”型分布,土壤剖面电导率随土层深度呈递减趋势,为“S”型分布。与裸土相比,植被生长条件下的土壤水盐动态变化更加复杂;水分不足条件时更容易产生盐分表聚现象。特枯水年下的白茎盐生草生长受到严重抑制,但特丰水年和丰水年对植物生长的影响差异并不显著。因此,与裸土相比,白茎盐生草生长显著影响其根区土壤水盐动态。

苏北滩涂水稻微咸水灌溉模式及土壤盐分动态变化

为研究微咸水灌溉对水稻水分利用效率和土壤盐分动态的影响，利用田间试验资料对SWAP（Soil—Water-Atmosphere．Plant）模型进行了率定和验证。用验证认可的模型模拟并分析了水稻生育期水盐运移规律和水稻水分利用效率，并预测了长期微咸水灌溉对土壤盐分的影响。结果表明：1．5mg／cm3矿化度微咸水足量灌溉可以获得较高的产量和水分利用效率；各微咸水处理在60-90cm土层均出现不同程度的盐分累积现象，具体累积深度和土壤盐分浓度与灌水量和灌水矿化度有关；采用1．5mg／cm2矿化度微咸水进行微咸水长期灌溉研究，10a的模拟结果显示此灌溉制度不会引起0—100cm土层土壤次生盐渍化。该研究为滨海地区微咸水合理利用提供了理论依据。

微咸水灌溉对土壤水盐动态与春小麦产量的影响

为了探究合理的微咸水灌溉利用模式,分别于2007年和2008年在宁夏银北惠农引黄灌区开展微咸水灌溉试验,研究了该地区微咸水灌溉对土壤水盐动态、春小麦产量的影响。研究结果表明:表层(0～30cm)土壤含水率和含盐量变化较大,而30cm以下土层的含水率和含盐量变化相对较小。渠灌条件下,春小麦全生育期内土壤根区(0～90cm)处于明显的脱盐状态,而井渠混灌处理即使在相对干旱的年份也可保持根区土壤的盐分平衡,但井灌处理根区则出现明显积盐现象。春小麦耗水量和水分利用效率均随着灌水矿化度的增加而降低。与渠灌相比,井渠混灌模式的春小麦减产较小,而井灌处理的减产为20%～30%。在银北惠农地区,采用井渠1︰1的混灌模式是春小麦的适宜微咸水灌溉利用模式。