Shahid Ali

10 Questions 5 Answers 0 Followers

Questions related from Shahid Ali

Modified Arrhenius equation rate constants?

Hi, I have a question regarding modified Arrhenius equation: k=ATbexp−E/RT Does anyone knows how to choose the term temperature exponent 'b' for a specific reaction. The only thing I can find...

24 January 2018 7,673 11 View

Does anyone have knowledge on the Surface Energy for nanorods?

I want to calculate surface energy for gold nanorod containing different facets i.e. 100,110,111etc (see in attachment), before I calculated surface energy for different surfaces but not for...

29 September 2014 8,290 2 View

Structure relaxation and energy minimization - can anyone help?‏

I am trying to do structure relaxation and energy minimization by using Reax, eam and meam poetntials for nanorods (you can see input and data files in attachment). Before I did both relaxation...

03 September 2014 7,410 6 View

Does anyone know/worked experimentally on normal surface relaxation of gold (plain surfaces)?

Actually we are working computationally and want to compare our results. I would really appreciate your suggestion/help. Thanks!

28 August 2014 4,602 0 View

Can anyone help with the structural alignment of Nanorods?

I want to do structure alignment of nanorods (see in attachment) for strain and displacement vector calculation. I would really apperciate your comment/suggestion. Thanks!

22 August 2014 7,917 3 View

Nanorod structure with facets?

I want to generate a gold nanorod structure which have facets (100, 111, 110, 520). I am able to generate a nanorod structure in lammps but don't know how to generate with facets. Can somebody...

18 July 2014 1,528 2 View

Can anyone help with a nanorod structure for Lammps calculations?

I want to generate a Gold nanorod structure for stress/strain calculations in lammps. If somebody has experience/suggestion please comment. Thanks! ps: I know how to generate slab or bulk...

15 July 2014 3,719 1 View

Can anyone help me with strain calculations in Lammps?

I want to do strain calculations for Au nanoparticles. How can I do this in Lammps? I would appreciate your suggestions.

25 June 2014 776 5 View

SNG, Methanol and DME Production

I am working on the production of SNG, Methanol and DME from biomass by hydrogasification. Can anyone suggest what the maximum achievable production might be by using 1000 tonnes/day of biomass...

26 April 2013 688 2 View

Plant layout Optimization

Hi, Does anyone know any software or method or a good paper or book that proposes how to build an optimum plant layout. For example think that we already have a plant and we want to extend it....

01 January 1970 7,285 6 View