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QUANTITATIVE ANALYSIS OF VERY WEAK ACID AND BASE BY pH-FIXED TITRATION METHOD
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作者 Gang XU Ping WEI Yu Cheng XIE Xing Dong YU(Jiangsu Institute of Chemical Technology,Changzhou,213016) 《Chinese Chemical Letters》 SCIE CAS CSCD 1990年第1期81-84,共4页
pH-fixed titration method for the determination of weak acids and bases has been studied in this paper.It is not necessary to know the ionization constant of weak acid or base and the concentration of titrant. This me... pH-fixed titration method for the determination of weak acids and bases has been studied in this paper.It is not necessary to know the ionization constant of weak acid or base and the concentration of titrant. This method had been applied to determine phenol,4-aminoantipyrine and glycine,whose ionization constants range from 10^(-10)to 10^(-12).The results were satisfactory. 展开更多
关键词 AATP acid QUANTITATIVE ANALYSIS OF VERY weak acid AND BASE BY pH-FIXED TITRATION METHOD acid pH
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DIRECT TITRATION OF VERY WEAK ACIDS(BASES)IN AQUEOUS SOLUTION WITH STRONG BASES(ACIDS)USING VISUAL END-POINT INDICATION WITHOUT INDICATOR
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作者 Shu Ping BI Guang Yu ZHANG Hone GAO (H.Kao) Chemistry Department,Nanjing University,Nanjing,210008 《Chinese Chemical Letters》 SCIE CAS CSCD 1991年第2期153-154,共2页
This paper reports a new method of titration for very weak acids and bases using the appearance of incisions on oscillopolarogram to indicate the end-point.This method has the advantages of rapidity,simplicity,no indi... This paper reports a new method of titration for very weak acids and bases using the appearance of incisions on oscillopolarogram to indicate the end-point.This method has the advantages of rapidity,simplicity,no indicator needed as well as good precision. 展开更多
关键词 DIRECT TITRATION OF VERY weak acidS acidS)USING VISUAL END-POINT INDICATION WITHOUT INDICATOR BASES)IN AQUEOUS SOLUTION WITH STRONG BASES
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Adsorption of Pb^(2+) on macroporous weak acid adsorbent resin from aqueous solutions: Batch and column studies 被引量:2
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作者 熊春华 冯宇杰 姚彩萍 《Journal of Central South University》 SCIE EI CAS 2009年第4期569-574,共6页
The adsorption properties of a novel macroporous weak acid resin (D152) for Pb2+ were investigated with chemical methods. The optimal adsorption condition of D152 resin for Pb2+ is at pH 6.00 in HAc-NaAc medium. The s... The adsorption properties of a novel macroporous weak acid resin (D152) for Pb2+ were investigated with chemical methods. The optimal adsorption condition of D152 resin for Pb2+ is at pH 6.00 in HAc-NaAc medium. The statically saturated adsorption capacity is 527 mg/g at 298 K. Pb2+ adsorbed on D152 resin can be eluted with 0.05 mol/L HCl quantitatively. The adsorption rate constants determined under various temperatures are k288 K=2.22×10-5 s-1, k298 K=2.51×10-5 s-1, and k308 K= 2.95×10-5 s-1, respectively. The apparent activation energy, Ea is 10.5 kJ/mol, and the adsorption parameters of thermodynamics are -HΘ=13.3 kJ/mol, -SΘ=119 J/(mol·K), and -GΘ298 K =-22.2 kJ/mol, respectively. The adsorption behavior of D152 resin for Pb2+ follows Langmuir model. 展开更多
关键词 大孔弱酸树脂 树脂吸附 LANGMUIR模型 批处理 水溶液 饱和吸附容量 热力学参数
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Laboratory Research on Tahe AR Fluid Coking on Weak Acid Catalysts 被引量:1
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作者 Wu Zhiguo Li Yanjun Shen Haiping(SINOPEC Research Institute of Petroleum Processing,Beijing 100083) 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS 2011年第2期9-13,共5页
Fluid coking on micro-spherical particles with acid sites on them could produce more light oils from Tahe AR.The conversion rate could increase by about 20% on the catalyst B compared to that obtained on the catalyst ... Fluid coking on micro-spherical particles with acid sites on them could produce more light oils from Tahe AR.The conversion rate could increase by about 20% on the catalyst B compared to that obtained on the catalyst A and the light oil yield could increase by about 12%.The yield of gasoline and diesel was more than 50% from Tahe AR over the catalyst B.Tests on acidity of the catalyst B by pyridine FT-IR spectrometry showed that the total acid content and the ratio of weak acid number to total acid number were higher than other catalysts. 展开更多
关键词 酸性催化剂 颗粒流体 AR 焦化 实验室 轻质油收率 总酸含量
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Adsorption behavior of gel-type weak acid resin (110-H) for Pb^(2+) 被引量:1
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作者 熊春华 姚彩萍 《中国有色金属学会会刊:英文版》 EI CSCD 2008年第5期1290-1294,共5页
The adsorption properties of a novel gel-type weak acid resin (110-H) for Pb2+ were investigated using chemical methods and IR spectrometry.The optimal adsorption condition of 110-H for Pb2+ is at pH=6.49 in HAc-NaAc ... The adsorption properties of a novel gel-type weak acid resin (110-H) for Pb2+ were investigated using chemical methods and IR spectrometry.The optimal adsorption condition of 110-H for Pb2+ is at pH=6.49 in HAc-NaAc medium and the statically saturated adsorption capacity is 485 mg/g at 298 K.Pb2+ adsorbed on 110-H resin can be eluted with 0.025 mol/L HCl quantificationally.The adsorption rate constants determined under the temperatures of 288,298,308 and 318 K are 2.46×10-5,3.82×10-5,4.46×10-5 and 5.71×10-5 s-1,respectively.The apparent activation energy,Ea,is 18.1 kJ/mol and the thermodynamic parameters of adsorption,ΔH=20.9 kJ/mol,ΔS=161 J/(mol.K) and ΔG298 K =-48.0 kJ/mol,respectively.The adsorption behavior of 110-H resin for Pb2+ accords with the Langmuir isotherm.Infrared spectra show that the oxygen atoms of the functional group of resin coordinate with Pb2+ to form the coordination bands. 展开更多
关键词 弱酸 树脂 吸附作用 金属学
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New Method for the Determination of Ionization Constants of Polyprotic Weak Acid
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作者 王静康 郝红勋 《Transactions of Tianjin University》 EI CAS 2003年第2期98-100,共3页
A new method for the determination of ionization constants of polyprotic weak acids is presented. Based on dissociation equilibrium,mass balance and charge balance, the mathematic model is established and the non line... A new method for the determination of ionization constants of polyprotic weak acids is presented. Based on dissociation equilibrium,mass balance and charge balance, the mathematic model is established and the non linear least squares Gauss Newton method is applied to numerically solve the model equations. In order to get the concentration of hydrogen ion, the Debye Hückel equation is used to calculate its activity coefficient. The ionization constants of H 2SO 3 and H 2C 2O 4 obtained by this method are in good agreement with the literature values. 展开更多
关键词 多元弱酸 电离常数 氢离子 PH值 非线性最小二乘高斯-牛顿法
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Adsorption behavior of ytterbium (Ⅲ) on gel-type weak acid resin 被引量:3
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作者 郑展望 熊春华 《Journal of Rare Earths》 SCIE EI CAS CSCD 2011年第5期407-412,共6页
The adsorption and desorption behaviors of Yb(Ⅲ) on gel-type weak acid resin (110) were investigated. The influence of operational conditions such as contact time,initial concentration of Yb(Ⅲ),initial pH of s... The adsorption and desorption behaviors of Yb(Ⅲ) on gel-type weak acid resin (110) were investigated. The influence of operational conditions such as contact time,initial concentration of Yb(Ⅲ),initial pH of solution and temperature on the adsorption of Yb(Ⅲ) were also examined. The results showed that the optimal adsorption condition of 110 resin for Yb(Ⅲ) was achieved at pH=5.5 in HAc-NaAc medium. The maximum uptake capacity of Yb(Ⅲ) was 265.8 mg/g at 298 K. Yb(Ⅲ) could be eluted by using 3.0 mol/L HCl solution and the 110 resin could be regenerated and reused. The adsorption of Yb(Ⅲ) followed the Langmuir isotherm,and the correlation coefficients were evaluated. Various thermodynamic parameters such as standard enthalpy change (△H),standard entropy change (△S) and standard free energy change (△G) were evaluated. The adsorption of Yb(III) on the 110 resin was found to be endothermic in nature. Thomas model was successfully applied to experimental data to predict the breakthrough curves and to determine the characteristics parameters of the column useful for process design. And the resin sample both before and after adsorption was described by IR spectroscopy. 展开更多
关键词 gel-type weak acid resin (110 resin) ytterbium(Ⅲ) ADSORPTION PARAMETER Thomas model rare earths
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THERMODYNAMIC STUDY ON ADSORPTION OF AROMATIC SULFONIC ACIDS ONTO MACROPOROUS WEAK BASE ANION EXCHANGER FROM AQUEOUS SOLUTIONS 被引量:1
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作者 龙超 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 2004年第6期535-542,共8页
The adsorption equilibrium isotherms of three aromatic sulfonic acid compounds, 2-naphthalenesulfonic acid, p-toluenesulfonic acid and p-chlorobenzenesulfonic acid, from aqueous solutions by macroporous weak base anio... The adsorption equilibrium isotherms of three aromatic sulfonic acid compounds, 2-naphthalenesulfonic acid, p-toluenesulfonic acid and p-chlorobenzenesulfonic acid, from aqueous solutions by macroporous weak base anion exchanger within the temperature range of 293 K-313 K were obtained. Several isotherm equations were correlated with the equilibrium data, and the experimental data was found to fit the three-parameter Redlich-Peterson equation best within the entire range of concentrations. The study showed that the hydrophobicity of solute has distinct influence on adsorption capacity of the anion exchanger for the aromatic sulfonic acid. Moreover, estimations of the isosteric enthalpy, free energy, and entropy change of adsorption were also reported. The positive isosteric enthalpy and entropy change for adsorption indicate an endothermic and entropy driven process in the present study. 展开更多
关键词 aromatic sulfonic acids macroporous weak base anion exchanger adsorption thermodynamics
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The “Overlapping Equilibria” Effect in the Processes of the Electrolytic Dissociation of Weak Multibasic Organic Acids
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作者 Elene Kvaratskhelia Ramaz Kvaratskhelia Rusudan Kurtanidze 《Journal of Biomedical Science and Engineering》 2014年第8期563-572,共10页
The “overlapping equilibria” effect observed in the processes of electrolytic dissociation of many weak multibasic organic acids determines the character of these processes. In this communication, the degree of “ov... The “overlapping equilibria” effect observed in the processes of electrolytic dissociation of many weak multibasic organic acids determines the character of these processes. In this communication, the degree of “overlapping equilibria” in case of weak dibasic organic acids is quantitatively characterized by the values of “partial” degree of dissociation for second step and ratio of the concentrations of dianion and monoanion. It has been shown that these dissociation parameters are directly connected with the values of the second dissociation constant. It has been also shown that the contribution of third dissociation step in the “overlapping equilibria” effect is especially appreciable in case of penta and hexabasic weak organic acids causing the double “overlapping” phenomenon. 展开更多
关键词 DISSOCIATION Constant DISSOCIATION Degree “Overlapping Equilibria” EFFECT weak Organic acidS
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弱酸性电解水用于提升鲜切马铃薯安全品质的研究 被引量:1
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作者 李玉梅 程建新 +4 位作者 葛霞 田世龙 李守强 田甲春 李梅 《食品安全质量检测学报》 CAS 2024年第1期197-205,共9页
目的探究弱酸性电解水和自来水处理的鲜切马铃薯在室温贮藏条件下不同时间段内品质的变化。方法模拟现代厨房贮存模式,经弱酸性电解水和自来水处理的鲜切马铃薯在室温(25±0.5)℃贮藏环境下,贮藏0、7、14、21、28、35h时,检测其感... 目的探究弱酸性电解水和自来水处理的鲜切马铃薯在室温贮藏条件下不同时间段内品质的变化。方法模拟现代厨房贮存模式,经弱酸性电解水和自来水处理的鲜切马铃薯在室温(25±0.5)℃贮藏环境下,贮藏0、7、14、21、28、35h时,检测其感官、色度、质构、淀粉、蛋白质、钾、维生素C、菌落总数、大肠杆菌、沙门氏菌、金黄色葡萄球菌、霉菌、酵母菌。结果经弱酸性电解水处理的鲜切马铃薯在室温贮藏21 h内,经自来水处理的鲜切马铃薯在室温贮藏14 h内,感官正常,其营养成分淀粉、蛋白质、维生素C、钾元素下降较少,金黄色葡萄球菌、沙门氏菌、菌落总数、大肠杆菌、霉菌、酵母菌的含量均在国家标准和团体标准许可的安全范围内,可安全食用。结论弱酸性电解水可显著提升鲜切马铃薯的贮藏品质,抑制其金黄色葡萄球菌、沙门氏菌、菌落总数、大肠杆菌、霉菌、酵母菌繁殖,延长室温贮藏期。 展开更多
关键词 弱酸性电解水 鲜切马铃薯 安全品质 微生物 营养成分 质构特性
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菜籽蛋白的弱酸高盐法提取工艺优化及品质分析
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作者 方雪莲 冯子盛 +2 位作者 何静仁 杨尚华 张瑞 《中国油脂》 CAS CSCD 北大核心 2024年第5期54-59,共6页
旨在揭示弱酸高盐法提取菜籽蛋白的潜力,以脱脂低温压榨菜籽饼为原料,MgCl2溶液为提取液,采用弱酸高盐法提取菜籽蛋白,采用单因素实验研究提取温度、提取pH、提取时间、提取液浓度及料液比对菜籽蛋白提取率的影响,采用正交实验进行菜籽... 旨在揭示弱酸高盐法提取菜籽蛋白的潜力,以脱脂低温压榨菜籽饼为原料,MgCl2溶液为提取液,采用弱酸高盐法提取菜籽蛋白,采用单因素实验研究提取温度、提取pH、提取时间、提取液浓度及料液比对菜籽蛋白提取率的影响,采用正交实验进行菜籽蛋白的弱酸高盐法提取工艺优化,并比较弱酸高盐法菜籽蛋白与碱提酸沉法菜籽蛋白在抗营养因子(植酸、硫苷和单宁)含量与感官特性(气味、色泽)上的差异。结果表明:弱酸高盐法提取菜籽蛋白的最佳工艺条件为提取温度50℃、提取pH 6.5、提取时间150 min、提取液浓度150 mmol/L、料液比1∶30,在最佳工艺条件下菜籽蛋白提取率为(48.00±1.12)%,纯度为(73.99±2.87)%;弱酸高盐法菜籽蛋白的单宁含量为(0.90±0.06)%,植酸含量为(0.04±0.01)%,未检测出硫苷,色泽为浅黄色,各指标明显优于碱提酸沉法菜籽蛋白。弱酸高盐法作为一种温和的工艺在菜籽蛋白提取方面具有较好的开发潜力和应用前景。 展开更多
关键词 菜籽蛋白 弱酸高盐提取 感官特性 抗营养因子
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基于弱相互作用力的共混型吸附剂去除六价铬离子
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作者 罗越峰 施鹏 +2 位作者 陈俊良 喻安平 冯信鑫 《山西化工》 CAS 2024年第1期47-48,共2页
本研究采用聚乙二醇(PEG)与单宁酸(TA)的氢键和范德华力等弱相互作用力制备了一种新型混凝剂。在Fe2+的辅助下,Cr(Ⅵ)可在中性条件下形成沉淀。Cr(Ⅵ)质量浓度在2 h内可由100 mg/L降至<0.1 mg/L。且Fe2+的用量缩减为目前工业技术的1/... 本研究采用聚乙二醇(PEG)与单宁酸(TA)的氢键和范德华力等弱相互作用力制备了一种新型混凝剂。在Fe2+的辅助下,Cr(Ⅵ)可在中性条件下形成沉淀。Cr(Ⅵ)质量浓度在2 h内可由100 mg/L降至<0.1 mg/L。且Fe2+的用量缩减为目前工业技术的1/3。去除过程涉及氧化还原-螯合、电荷相互作用和物理包裹等多种相互作用。由于反应条件温和、去除效率高,有望成为一种具有较大应用前景的新型除铬技术。 展开更多
关键词 混凝 六价铬去除 聚乙二醇 丹宁酸 弱相互作用力
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皮革棕SG和皮革棕E5G的制备工艺研究
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作者 宋内理 《中国皮革》 CAS 2024年第3期33-36,43,共5页
主要论述了皮革棕SG和皮革棕E5G两种产品,实验室、车间的生产工艺操作流程,对重氮化、偶合、络合、各反应组成,pH值、时间、温度、反应终点等进一步详细说明。并给出了产品在羊毛、皮革上的应用性能指标。
关键词 皮革染料 酸性染料 弱酸性染料 金属络合染料
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皮革深棕A和皮革蓝的制备工艺研究
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作者 宋内理 《中国皮革》 CAS 2024年第1期23-26,30,共5页
围绕皮革深棕A和皮革蓝两种产品,介绍了其在实验室、车间的生产工艺操作流程,并对其重氮化、偶合、络合、各反应组成、pH值、时间、温度、反应终点等进行详细说明,给出了产品在羊毛、皮革上的应用性能指标。
关键词 皮革染料 酸性染料 弱酸性染料 金属络合染料
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皮革深棕TGG和皮革棕TD的制备工艺研究
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作者 宋内理 《中国皮革》 CAS 2024年第6期32-36,共5页
本文主要论述了皮革深棕TGG和皮革棕TD两种产品在实验室、车间的生产工艺操作流程,并对重氮化、偶合、络合、各反应组成,pH值、时间、温度、反应终点,以及产品在羊毛、皮革上的应用性能指标进一步详细说明。
关键词 皮革染料 酸性染料 弱酸性染料 金属络合染料
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硫酸乙烯酯(DTD)稳定性影响因素分析
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作者 张双杰 李倩慧 +2 位作者 李鹏 王晓兵 王艳君 《河南化工》 CAS 2024年第6期12-14,共3页
模拟投料环境,探索温度、时间、氧化剂NaClO、弱碱NaHCO_(3)、弱酸NaHSO_(3)对DTD分解情况的影响。结果表明:温度低于15℃时DTD分解缓慢,高于15℃时DTD分解迅速,且随时间的延长分解加剧。氧化剂NaClO会造成产物的迅速分解,4 h DTD分解剩... 模拟投料环境,探索温度、时间、氧化剂NaClO、弱碱NaHCO_(3)、弱酸NaHSO_(3)对DTD分解情况的影响。结果表明:温度低于15℃时DTD分解缓慢,高于15℃时DTD分解迅速,且随时间的延长分解加剧。氧化剂NaClO会造成产物的迅速分解,4 h DTD分解剩余24.53%。NaHCO_(3)、NaHSO_(3)的加入对DTD的分解影响较小。为避免长时间对收率的影响,合成结束后需迅速进行后处理,对后期工业化生产具有重要的指导意义。 展开更多
关键词 DTD 温度 时间 氧化剂 弱碱 弱酸
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锌湿法冶炼中硅浸出行为的研究
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作者 周中华 姜艳 +1 位作者 邱伟佳 王洪亮 《云南冶金》 2024年第1期92-96,共5页
对锌焙砂弱酸浸出阶段硅的浸出行为进行研究。通过控制反应温度、酸度以及浸出时间来控制硅的浸出行为及总量。结果表明:在65~93℃温度范围内,随着温度的升高,上清率呈先上升后下降的趋势;提高弱酸浸出pH,可降低弱酸浸液中硅的含量,对... 对锌焙砂弱酸浸出阶段硅的浸出行为进行研究。通过控制反应温度、酸度以及浸出时间来控制硅的浸出行为及总量。结果表明:在65~93℃温度范围内,随着温度的升高,上清率呈先上升后下降的趋势;提高弱酸浸出pH,可降低弱酸浸液中硅的含量,对澄清效果没有影响;3次循环后可达到溶液SiO_(2)含量的平衡;反应时间大于60 min会强化硅在溶液中的富集。 展开更多
关键词 锌湿法冶炼 SiO_(2) 弱酸浸出 硅酸
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The Electrolytic Dissociation of Aryl Derivatives of Succinic Acid
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作者 Elene Kvaratskhelia Rusudan Kurtanidze 《Journal of Biomedical Science and Engineering》 2017年第4期163-171,共9页
In this work, an analysis of the regularities of the electrolytic dissociation of aryl derivatives of the succinic acid (phenylsuccinic, benzylsuccinic, dibenzylsuccinic and phenyl-2-benzylsuccinic acids) in their dil... In this work, an analysis of the regularities of the electrolytic dissociation of aryl derivatives of the succinic acid (phenylsuccinic, benzylsuccinic, dibenzylsuccinic and phenyl-2-benzylsuccinic acids) in their dilute (0.0001 - 0.01 mol.dm-3) solutions was carried out with the aid of a new method of determination of the dissociation parameters of weak multibasic organic acids with the “overlapping equilibria” effect previously described by authors. Values of the usual and “partial” degrees of dissociation, the concentrations of all anions, hydrogen ions and undissociated acid molecules, the activity coefficients of all charged dissociation products were calculated. Together with the accurate equations, the simple empirical equations for fast approximate determination of the various dissociation parameters were also suggested. 展开更多
关键词 DISSOCIATION CONSTANT DISSOCIATION Degree weak Organic acidS EQUATIONS DISSOCIATION Step
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Comparative Study between Traditional Approach and Physico-Chemical Approach in Acid Base Disorders Interpretation in Critically Ill Patients
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作者 Atef Redwan Rainer Gatz +3 位作者 Naglaa Hassan Heba Matter Adel Hammodi Adel Attia 《Open Journal of Respiratory Diseases》 2013年第4期143-149,共7页
Objective: The traditional approach for acid base interpretation is based on Handerson-Hasselbalch formula and includes Base Excess (BE), bicarbonate (HCO3), albumin corrected anion gap. The Physicochemical approach i... Objective: The traditional approach for acid base interpretation is based on Handerson-Hasselbalch formula and includes Base Excess (BE), bicarbonate (HCO3), albumin corrected anion gap. The Physicochemical approach is centered on the Carbon Dioxide tension (PCO2), the strong ion difference (SID), strong ion gap (SIG) = SID apparent-SID effective and totally weak acids (Atot). The study aims to compare between the traditional approach and the physicochemical approach in acid base disorder interpretation. Design: Prospective observational study in an adult Intensive Care Unit (ICU) recruiting six hundred and sixty one patients. Methods: Arterial blood samples were analyzed to measure pH, PaCO2 sodium, potassium, chloride and lactate. Venous blood samples were analyzed to measure ionized calcium, magnesium, phosphorous and albumin. These samples were interpreted by both techniques. Results: Normal HCO3 and BE were detected by traditional approach in 49 cases of which SIG acidosis was detected in 22 cases (46%) and Hyperchloremic acidosis was detected in 29 cases (60%) by physicochemical method. SIG was elevated in 72 cases (58%) of 124 cases with high anion gap acidosis. SIDeff and BE were strongly correlated, r = 0.8, p 0.0001, while SIG and Albumin corrected Anion Gap (ALAG) were moderately correlated r = 0.56, p Conclusion: Both approaches are important for interpretation of the acid base status. Traditional approach identifies the diagnostic description without many calculations and detects body compensatory response to acid base disorders. Physicochemical approach is essential to identify the exact causation and the severity of the acid base disorders. 展开更多
关键词 ANION GAP BASE Excess BICARBONATE Strong Ion GAP Total weak acids
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Crystal Structure and Theoretical Studies of Tetrahytrate(1-H-1,2,4-triazole-3,5-dicarboxylicacid)nickel 被引量:2
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作者 闫娟枝 卢丽萍 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2017年第8期1334-1340,共7页
A new compound, [Ni(Hdctrz)(H2O)4](1, H3dctrz = 1-H-1,2,4-triazole-3,5-dicarboxylic acid), has been successfully synthesized via slow evaporation. The structure of 1 was characterized by FT-IR, elemental analysi... A new compound, [Ni(Hdctrz)(H2O)4](1, H3dctrz = 1-H-1,2,4-triazole-3,5-dicarboxylic acid), has been successfully synthesized via slow evaporation. The structure of 1 was characterized by FT-IR, elemental analysis and single-crystal X-ray diffraction. Compound 1 crystallizes in monoclinic, space group P21/c with a = 6.871(1), b = 11.468(1), c = 12.178(1) A, b = 101.291(1)o, V = 941.01(16) A3, Z = 4, C4H9N3O8Ni, Mr = 285.85, Dc = 2.018 g·cm–3, m = 2.10 mm–1, F(000) = 584, GOOF = 1.025, the final R = 0.0515 and wR = 0.2125 for 1404 observed reflections(I 〉 2s(I)). The crystal structure is assembled by a slightly distorted {NiNO5} octahedral geometry and hydrogen bonds viz. N–H…O, O–H…O, C–O…π and π···π weak interactions. A rare π···π interaction from triazolate and carboxylate is affirmed through the molecular orbitals(MO) of three adjacent Ni CN molecules. The 3D Hirshfeld surface analysis was employed to gain additional insight into the interactions responsible for the packing of compound 1. Quantitative examination of 2D fingerprint plots revealed, amongst others, the dominating participation of O···H, N···H and π···π interactions in the molecular packing. 展开更多
关键词 1-H-1 2 4-triazole-3 5-dicarboxylic acid Ni compound weak interactions Hirshfeld surface
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