Modified Arrhenius equation rate constants?

31 December 2017 5,906 11 View

Methanation Kinetic modeling?

Hi, I am trying to develop a methanation model in Matlab/Simulink. I need some suggestions regarding kinetics of the methanation process. Since there are many kinetics studies available in the...

31 December 2017 3,244 4 View

Methanation in matlab?

Hi, I am trying a methanation model in Matlab/Simulink. If somebody has worked on it already, I would like to ask few questions. Thanks!

10 November 2017 3,482 2 View

No title

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...

08 September 2014 5,504 7 View

How should I calculate displacements along the axis of a Nanorod?

07 August 2014 9,885 3 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!

07 August 2014 6,128 4 View

Can anyone help with a nanorod structure for Lammps calculations?

06 July 2014 4,914 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.

05 June 2014 4,454 5 View

How to keep slab layers constant in Lammps?

I have a 14 layers slab and want to perform optimization for the topmost half layers by keeping rest of them constant. How to achieve this?

05 June 2014 8,925 4 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 2,551 8 View

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

what is the simplest definition of ion exchange capacity

What this unit identifies for the ion exchange capacity ca. 0.92 meq. g-1. I am a newcomer in the membrane area. I just started. I highly appreciate your help

08 May 2021 0 0 View