Evaluating Activated Carbon−Water Sorption Coefficients of Organic Compounds Using a Linear Solvation Energy Relationship Approach and Sorbate Chemical Activities

吸附 化学 溶剂化 分子间力 吸附 热力学 极化率 有机化学 分子 物理
作者
Yang‐Hsin Shih,Philip M. Gschwend
出处
期刊:Environmental Science & Technology [American Chemical Society]
卷期号:43 (3): 851-857 被引量:92
标识
DOI:10.1021/es801663c
摘要

A linear solvation energy relationship (LSER) approach was used to investigate the evolving contributions of intermolecular interactions controlling organic compound sorption by granular activated carbon (GAC) from water as a function of sorbate chemical activities. Using a particular GAC (20−40 mesh Darco), 14 sorption isotherms were measured using sorbates with diverse functional groups to represent the range of possible surface interactions, and the data for each sorbate were fit with the Freundlich equation. Using interpolated adsorption coefficients, Kd values (L/kg), LSERs for specific sorbate activities (0.1, 0.01, and 0.001 saturation) were deduced. These expressions revealed that the intermolecular interactions controlling sorption to our particular GAC from water evolved with sorbate activities, such that a global correlation dependent on sorbate activity was found: log Kd (L/kg) = [(3.76 ± 0.28) − (0.20 ± 0.10) log ai]V + [(−0.80 ± 0.14) − (0.48 ± 0.05) log ai]S + [(−4.47 ± 0.20) + (0.16 ± 0.06) log ai]B + (0.73 ± 0.28) − (0.24 ± 0.09) log ai (N = 176, R2 = 0.96), where log ai is the activity of sorbate i, V is McGowan's characteristic volume for the sorbate, S reflects the compound's polarity/polarizability, and B reflects the compound's electron-donation basicity. Hence, sorption was promoted by dispersive forces and was diminished for sorbates capable of proton acceptance/electron donation, although both of these became less important at higher sorbate activities. Other intermolecular interactions were only weakly contributing (e.g., the "S" term) or were not significant at all for this GAC (i.e., the "R" and "A" terms). This result implies the Freundlich coefficients, Kf, for sorbates are given by (3.76V − 0.80S − 4.47B + 0.73) + (0.20V + 0.48S − 0.16B + 0.24) log Ci,wsatn, and their exponents, 1/n, are equal to −0.20V − 0.48S + 0.16B + 0.76. The data set could also be used to deduce a sorbate concentration-dependent LSER which would be useful for estimating equilibrium sorption coefficients for new sorbates of interest: log Kd (L/kg) = [(1.89 ± 0.07) − (0.22 ± 0.06) log Ci,w]V + [(0.90 ± 0.05) − (0.48 ± 0.03) log Ci,w]S + [(−2.36 ± 0.07) + (0.30 ± 0.05) log Ci,w]B + (2.98 ± 0.07) − (0.26 ± 0.06) log Ci,w (N = 176, R2 = 0.98), where log Ci,w is the concentration in water of each sorbate (mg/L).
最长约 10秒,即可获得该文献文件

科研通智能强力驱动
Strongly Powered by AbleSci AI
更新
PDF的下载单位、IP信息已删除 (2025-6-4)

科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
清秀雁桃完成签到,获得积分10
刚刚
zhx完成签到,获得积分10
1秒前
Knight-1124完成签到,获得积分20
1秒前
1秒前
MchemG应助qq采纳,获得10
2秒前
小二郎应助科研通管家采纳,获得10
2秒前
bkagyin应助科研通管家采纳,获得10
2秒前
2秒前
2秒前
Hello应助科研通管家采纳,获得10
2秒前
在水一方应助科研通管家采纳,获得10
2秒前
2秒前
SHAO应助科研通管家采纳,获得10
2秒前
pcr163应助科研通管家采纳,获得30
2秒前
2秒前
和谐一万完成签到,获得积分10
2秒前
SYLH应助科研通管家采纳,获得30
2秒前
quhayley应助科研通管家采纳,获得10
2秒前
Zhou发布了新的文献求助10
2秒前
科目三应助科研通管家采纳,获得10
2秒前
pcr163应助科研通管家采纳,获得30
3秒前
英姑应助科研通管家采纳,获得10
3秒前
Anita发布了新的文献求助10
3秒前
SYLH应助科研通管家采纳,获得10
3秒前
3秒前
我是老大应助科研通管家采纳,获得10
3秒前
SYLH应助科研通管家采纳,获得10
3秒前
Ava应助科研通管家采纳,获得10
3秒前
充电宝应助科研通管家采纳,获得10
3秒前
神的女人发布了新的文献求助10
3秒前
pcr163应助科研通管家采纳,获得30
3秒前
Liufgui应助科研通管家采纳,获得20
3秒前
褪黑素应助科研通管家采纳,获得10
3秒前
3秒前
3秒前
3秒前
3秒前
3秒前
3秒前
3秒前
高分求助中
A new approach to the extrapolation of accelerated life test data 1000
ACSM’s Guidelines for Exercise Testing and Prescription, 12th edition 500
‘Unruly’ Children: Historical Fieldnotes and Learning Morality in a Taiwan Village (New Departures in Anthropology) 400
Indomethacinのヒトにおける経皮吸収 400
Phylogenetic study of the order Polydesmida (Myriapoda: Diplopoda) 370
基于可调谐半导体激光吸收光谱技术泄漏气体检测系统的研究 350
Robot-supported joining of reinforcement textiles with one-sided sewing heads 320
热门求助领域 (近24小时)
化学 材料科学 医学 生物 工程类 有机化学 生物化学 物理 内科学 纳米技术 计算机科学 化学工程 复合材料 遗传学 基因 物理化学 催化作用 冶金 细胞生物学 免疫学
热门帖子
关注 科研通微信公众号,转发送积分 3988732
求助须知:如何正确求助?哪些是违规求助? 3531027
关于积分的说明 11252281
捐赠科研通 3269732
什么是DOI,文献DOI怎么找? 1804764
邀请新用户注册赠送积分活动 881869
科研通“疑难数据库(出版商)”最低求助积分说明 809021