I want to create a 1M NaCl solution in a 1nm X 1nm X 1nm size cell using PACKMOL. So, what should be the NaCl:H2O ratio for this concentration? My calculation is -

1M NaCl = 1 mole NaCl + 1000 mL H2O = 1 mole NaCl + 1000 g H2O = 1 mole NaCl + 55.85 mole H2O

So, NaCl:H2O = 1:55.85.

What is the role of simulation cell size in this case? How does it affect the molar concentration?



You must log in to answer this question.

Browse other questions tagged .