Methanation in matlab?

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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...

31 December 2017 6,061 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 3,324 4 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...

08 September 2014 5,589 7 View

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

Hi, I want to calculate the displacements along the axis of Nanorod to see the strain effect. You can see the structure of nanorod in attached file. There is command Displace/atom in lammps but I...

07 August 2014 9,956 3 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!

07 August 2014 5,228 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!

07 August 2014 6,208 4 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...

06 July 2014 5,006 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 4,539 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 9,088 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 2,638 8 View

How can I prepare virus for a TEM or SEM imaging?

I have virus (viral hemorrhagic septicemia virus) in suspension and the experiment will not involve cells. What level of TCID50 is preferred?

11 August 2024 3,115 1 View

Handling Missing Data and Building a Predictive Model with Incomplete Information ?

I am developing a predictive model for a water supply network that involves 20 influencing points. However, I only have historical data for 10 out of these 20 points. I would like to know how to...

10 August 2024 4,005 2 View

Is it possible to use the Fused Deposition Modeling (FDM) to additively manufacture interconnected porous structure generation of >100-200 micrometer?

Usually, additive manufacturing techniques like SEBM, SLS, and SLM are used for interconnected porous lattice structure generation with sizes of >100–200 micrometers. Can the Fused Deposition...

09 August 2024 7,892 0 View

How to define an anisotropic material with asymmetric elastic compliance/stiffness matrix in ANSYS APDL?

I need to model an anisotropic material in which the Poisson's ratio ν_12 ≠ ν_21 and so on. Therefore, the elastic compliance matrix wouldn't be a symmetric one. In ANSYS APDL, for TB,ANEL...

09 August 2024 5,048 2 View

GC-MS retention index prediticon?

Hello experts, Does anyone know any free software about retention index prediction ?

08 August 2024 7,403 2 View

How can I apply boundary conditions in an orthotropic steel deck numerical model using ABAQUS software?

I am trying to simulate vehicular loading on an orthotopic steel deck bridge section in ABAQUS software. The red arrow mark in the attached figure indicates the direction in which the vehicle will...

08 August 2024 719 0 View

Can you suggest reliable sources defining "3D mesh" and "3D city models"?

Dear fellow researchers, I am currently working on a paper where I need to provide a reliable reference that defines and distinguishes between 3D mesh models and 3D city models. Although I am...

06 August 2024 9,986 2 View

AUX gas reading problem on QE with full MS and PRM method in one run?

Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...

06 August 2024 4,953 0 View

Absorption coefficient of methane?

Hello, Can anyone provide me with the absorption coefficient of methane gas at 7.7 um? Any reference?

06 August 2024 980 5 View

How can I improve the quality of lamb milk replacer for machine feeding?

Hello everyone, I am researching ways to enhance the quality of lamb milk replacer for machine feeding. I would appreciate any insights or recommendations on the following: Manual vs. Machine...

06 August 2024 6,227 2 View