6876
Ind. Eng. Chem. Res. 2006, 45, 6876
ADDITIONS AND CORRECTIONS Volume 45, Issue 9 Prediction of Binary VLE of Imidazolium-Based Ionic Liquids by COSMO-RS. Tamal Banerjee, Manish K. Singh, and Ashok Khanna Several corrections were made for this paper. They are detailed below. Page 3207. The text “...calculated from COSMO.7” in the second column should be replaced by “...calculated from COSMO-RS.7” Page 3208. Equation 6, for Sigma Averaging Profile, in Table 1, should read as follows:
∑n σ*n
rn2raV2
rn2 + raV2
σm )
∑n
rn2raV2
rn2 + raV2
(
exp -
(
exp -
dmn2
)
rn2 + raV2 dmn2
)
,
rn2 + raV2
raV ) 0.81 Å , rn ) xan/π
Here, raV ) 0.81 Å should be used in place of reff ) xaeff/π. Page 3208. Near the top of the second column, the sentence “Taking the screening charge density σ as a local measure of polarity, Ehb is not zero when either σdon is less than σhb or σacc is greater than the threshold value σhb.” should read as follows: “Taking the screening charge density σ as a local measure of polarity, Ehb is not zero when either σdon is less than -σhb or σacc is greater than the threshold value σhb.” (The first mention of σhb should be a negative value.) Page 3209. The line of text at the top of the first column should read as follows: “...charge densities also depend on the element-specific radii which are used in the cavity construction and roughly fixed by the rule 1.17RBondi, where RBondi is the Bondi radius.” (The value of 1.2RBondi has been replaced with 1.17RBondi and the term RBondi has been defined.) Page 3210. In the titles for Tables 4 and 5, the term “COSMO” should be replaced by the term “COSMO-RS”. Also, in Table 5, under the second column (with the header “COSMO-RS7”), the corresponding σhb value should be 0.0085 e/Å2, rather than 0.085 e/Å2. Page 3216. Near the top of the first column of text, the word “confirmation” is misspelled; it should be “conformation”. Also, in the first full paragraph in the first column, the text should read as follows: “... For hydrogen bonding, the screening charge densities should not lie between -0.0082 e/Å2 and +0.0082 e/Å2.” (The word “not” has been added.) Page 3218. In ref 1, the spelling of the last name of the first author should be Maginn, rather than Magnin. Page 3219. In ref 16, the spelling of the last name of the first author should be Scha¨fer, rather than Schafer. Also, in ref 17, the spelling of the last name of the second author should be Ko¨lmel, rather than Kolmet. IE061107J 10.1021/ie061107j Published on Web 09/01/2006
