What is the effect of surface area on surface roughness in chemical machining?

e.g. width of channel increase from 50 micron to 100 micron. Is surface roughness affects due to increase in width?

02 March 2016 9,961 1 View

Can polymer concentrations be calculated based on the number average molecular weight?

Hello, I spin-cast two different polymers onto wafers and measure their height as a function of initial concentration. For polymer A, I have the weight-average molecular weight (Mw) as well as...

28 February 2021 7,882 2 View

How to resolve Gaussian error termination " Error termination via Lnk1e in F:\G16W\l103.exe" for TS(QST3)?

When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...

21 February 2021 3,198 2 View

Using the Pfaffl method: Is it possible that the ratio of the calibrator does not equal 1?

Hi all, I have a question regarding calculations using the Pfaffl method. I have 3 groups per experiment: 1 control group (calibrator) and 2 treatment groups with 6 to 7 biological repeats per...

19 February 2021 8,351 2 View

Solution of 2D convection diffusion heat equation using MATLAB ?

This is a polymer heating problem. Polymer enters at around 180C (x=0) in the barrel. Also barrel initial temperature is 180 (t=0). Some heat Is added along whole length of barrel q. We have to...

15 February 2021 3,887 1 View

Defining effective diffusivity in porous zone and non-porous zone?

Hi all, I am working on methanol steam reforming using packed bed for hydrogen generation. I am using FLUENT software for CFD simulation. In reference paper, authors mentioned that effective mass...

10 February 2021 6,104 1 View

How to match the XRD of a compound for which there is no JCPDS file ? Is there any other characterization to claim the synthesis of desired compound?

I have synthesized LiMgF3 using the starting precursors LiF and MgF2 via solid state diffusion method. Now I am looking for some characterization to claim the desired product, as there is no...

09 February 2021 921 3 View

Is it possible to have a diffusion of oxygen from the glass substrate (SiO2) into the absorbent layer during annealing process?

02 February 2021 382 7 View

How to calculate radial distribution function (RDF) of a complex from Ab initio MD simulation trajectory?

Hi all, Is there any software or webserver to read the molecular dynamics (MD) simulation trajectory which obtained from Ab initio MD simulation to calculate the atom-atom radial distribution...

25 January 2021 9,474 3 View

Solving diffusion- reversible chemical reaction equation: How to solve both terms numerically?

I am using finite difference method to discretize the parabolic equation (explicit method), but confused about the chemical reaction term. Solving the generic equation for i specie involves a...

24 January 2021 1,149 18 View

Doubt in DFT geometry preparation?

Hi all, I am trying to perform some ab inito DFT calculations using cp2k code. I have a unit cell of 120 atoms and would like to know how to refine or reduce the number of atoms in the unit cell...

20 January 2021 6,024 3 View