Igor Maksimov*, Toshiaki Asakai, Yuya Hibino and Simon L. Clegg*,
{"title":"人工海水中与“Tris”缓冲液相关溶液中HCl的活度系数2。HCl + NaCl + TrisHCl + H2O和Tris Buffer + NaCl + H2O,在5 ~ 40°C范围内达到高离子强度","authors":"Igor Maksimov*, Toshiaki Asakai, Yuya Hibino and Simon L. Clegg*, ","doi":"10.1021/acs.jced.5c00369","DOIUrl":null,"url":null,"abstract":"<p >The substance Tris (2-amino-2-hydroxymethyl-1,3-propanediol, CAS 77-86-1), and its protonated form TrisH<sup>+</sup>, are used in the preparation of ‘total’ pH buffers in artificial seawater media. The development of a chemical speciation model of the buffer solutions, using the Pitzer equations to calculate solute activity coefficients, is desirable in order to quantify the effects of composition change, convert the total pH to other scales, and address metrological requirements for traceability to the International System of Units. Here, in the second of a series of studies, we present Harned cell measurements of potentials and mean activity coefficients of HCl in solutions containing HCl, NaCl, and TrisHCl for ionic strengths from 1.0 to 5.5 mol kg<sup>–1</sup> and from 5 to 40 °C. The results at 25 °C are consistent with those of the literature studies of the two end-member solutions (aqueous HCl + NaCl, and HCl + TrisHCl). We also present results of measurements of buffer solutions containing equimolal Tris and TrisHCl (hence TrisH<sup>+</sup>), and NaCl, at ionic strengths of 0.2, 1.0, and 4.0 mol kg<sup>–1</sup> at the same temperatures. These are compared with literature data for Tris buffers in an artificial seawater medium. Aspects of the development of a Pitzer model for these solutions are discussed.</p>","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":"70 9","pages":"3614–3629"},"PeriodicalIF":2.1000,"publicationDate":"2025-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.acs.org/doi/pdf/10.1021/acs.jced.5c00369","citationCount":"0","resultStr":"{\"title\":\"Activity Coefficients of HCl in Solutions Related to “Tris” Buffers in Artificial Seawater. II. HCl + NaCl + TrisHCl + H2O, and Tris Buffer + NaCl + H2O, to High Ionic Strength and from 5 to 40 °C\",\"authors\":\"Igor Maksimov*, Toshiaki Asakai, Yuya Hibino and Simon L. Clegg*, \",\"doi\":\"10.1021/acs.jced.5c00369\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >The substance Tris (2-amino-2-hydroxymethyl-1,3-propanediol, CAS 77-86-1), and its protonated form TrisH<sup>+</sup>, are used in the preparation of ‘total’ pH buffers in artificial seawater media. The development of a chemical speciation model of the buffer solutions, using the Pitzer equations to calculate solute activity coefficients, is desirable in order to quantify the effects of composition change, convert the total pH to other scales, and address metrological requirements for traceability to the International System of Units. Here, in the second of a series of studies, we present Harned cell measurements of potentials and mean activity coefficients of HCl in solutions containing HCl, NaCl, and TrisHCl for ionic strengths from 1.0 to 5.5 mol kg<sup>–1</sup> and from 5 to 40 °C. The results at 25 °C are consistent with those of the literature studies of the two end-member solutions (aqueous HCl + NaCl, and HCl + TrisHCl). We also present results of measurements of buffer solutions containing equimolal Tris and TrisHCl (hence TrisH<sup>+</sup>), and NaCl, at ionic strengths of 0.2, 1.0, and 4.0 mol kg<sup>–1</sup> at the same temperatures. These are compared with literature data for Tris buffers in an artificial seawater medium. Aspects of the development of a Pitzer model for these solutions are discussed.</p>\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":\"70 9\",\"pages\":\"3614–3629\"},\"PeriodicalIF\":2.1000,\"publicationDate\":\"2025-08-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://pubs.acs.org/doi/pdf/10.1021/acs.jced.5c00369\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical & Engineering Data\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.jced.5c00369\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.jced.5c00369","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Activity Coefficients of HCl in Solutions Related to “Tris” Buffers in Artificial Seawater. II. HCl + NaCl + TrisHCl + H2O, and Tris Buffer + NaCl + H2O, to High Ionic Strength and from 5 to 40 °C
The substance Tris (2-amino-2-hydroxymethyl-1,3-propanediol, CAS 77-86-1), and its protonated form TrisH+, are used in the preparation of ‘total’ pH buffers in artificial seawater media. The development of a chemical speciation model of the buffer solutions, using the Pitzer equations to calculate solute activity coefficients, is desirable in order to quantify the effects of composition change, convert the total pH to other scales, and address metrological requirements for traceability to the International System of Units. Here, in the second of a series of studies, we present Harned cell measurements of potentials and mean activity coefficients of HCl in solutions containing HCl, NaCl, and TrisHCl for ionic strengths from 1.0 to 5.5 mol kg–1 and from 5 to 40 °C. The results at 25 °C are consistent with those of the literature studies of the two end-member solutions (aqueous HCl + NaCl, and HCl + TrisHCl). We also present results of measurements of buffer solutions containing equimolal Tris and TrisHCl (hence TrisH+), and NaCl, at ionic strengths of 0.2, 1.0, and 4.0 mol kg–1 at the same temperatures. These are compared with literature data for Tris buffers in an artificial seawater medium. Aspects of the development of a Pitzer model for these solutions are discussed.
期刊介绍:
The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.