Divide-and-Conquer Density-Functional Tight-Binding Molecular Dynamics Study on the Formation of Carbamate Ions during CO₂ Chemical Absorption in Aqueous Amine Solution

Two corrections to typographic errors in the manuscript titled “Divide-and-Conquer Density-Functional Tight-Binding Molecular Dynamics Study on the Formation of Carbamate Ions during CO₂ Chemical Absorption in Aqueous Amine Solution” by A. Sakti, Y. Nishimura, H. Sato, and H. Nakai,

• 1.

  Originally, in Table 3, the averaged of k₋₁ is 4.68 × 10⁻⁴ M⁻¹ ps⁻¹. The value should be corrected to 4.68 × 10⁻³ M⁻¹ ps⁻¹. Thus, Table 3 should be changed as follows.

  Entry	k1 [ps−1]	k−1 [M−1 ps−1]	k2 [M−1 ps−1]	k−2 [ps−1]	k3 [M−1 ps−1]
  #1	7.18 × 10−8	4.81 × 10−3	8.40 × 10−3	1.00 × 10−2	3.82 × 10−3
  #2	7.18 × 10−8	5.12 × 10−3	9.20 × 10−3	1.00 × 10−2	5.00 × 10−3
  #3	6.00 × 10−8	5.51 × 10−3	3.72 × 10−3	1.00 × 10−2	5.00 × 10−3
  #4	6.00 × 10−8	4.21 × 10−3	3.19 × 10−3	1.00 × 10−2	5.00 × 10−3
  #5	6.00 × 10−8	4.21 × 10−3	6.19 × 10−3	1.00 × 10−2	5.00 × 10−3
  #6	6.00 × 10−8	4.21 × 10−3	3.31 × 10−3	1.00 × 10−2	5.00 × 10−3
  Average	6.39 × 10−8	4.68 × 10−3	5.67 × 10−3	1.00 × 10−2	4.80 × 10−3

• 2.

  On the right hand column of page 4, line 33–35:

  “The backward reaction of this step is considerably faster, with k₋₁ of 4.68 × 10⁻⁴ M⁻¹ ps⁻¹, which corresponds to a weak basicity of MEA.”

  should be changed to

  “The backward reaction of this step is considerably faster, with k₋₁ of 4.68 × 10⁻³ M⁻¹ ps⁻¹, which corresponds to a weak basicity of MEA.”