Hari O. S. Yadav

6 Questions 11 Answers 0 Followers

Questions related from Hari O. S. Yadav

How to plot two-dimensional (2D) number density profile using cylindrical coordinate system ?

I want to get a contour plot of number density of atoms in r-z plane. I have xyz trajectory of system which can be converted to (r,z,theta) trajectory where r=sqrt(x^2 + y^2), z=z, and theta =...

10 October 2016 9,130 2 View

Why does the local density augmentation occur in supercritical fluids (SCFs)?

Hi, I am studying solvation of a solute in SCF at infinite dilution. I am characterizing solvent reorganization around solute using pair correlation function, g(r). We found that on increasing the...

09 September 2016 7,340 5 View

How can we explain the negative partial molar volume?

I am getting negative partial molar volume (PMV) of a solute solvated in a supercritical fluid at infinite dilution. The nature of interaction of entire system is purely van der Walls interaction....

08 August 2016 1,920 6 View

What is actual meaning of direct solute-solvent interaction?

Read 7 answers by scientists to the question asked by Hari O. S. Yadav on Apr 17, 2016

04 April 2016 1,356 7 View

Wants to clear the confusion for estimating %error?

Hi, I want to report %error in the publication. I have both the standard deviation (sigma) and error bar (sigma/sqrt(N-1)); where N is no. of data points. How can we get the %error using these two...

02 February 2016 3,032 5 View

What is optimal grafting density observed in experiment for CdSe/PbSe nanoparticle?

I want to know a surface coverage of CdSe/PbSe nanoaprticles generally found in experiments. Surface coverage will depend on various factors like as chemistry of ligands, surface structure of...

07 July 2014 960 1 View