How to predict the reaction pathway for electro organic synthesis?

Can anyone recommend some any software/models available that can predict substance reactivities and the reaction yield under a specific set of reaction conditions process and proposing pathways to...

17 February 2021 2,383 3 View

Paleontology and nanotechnology, what we can do?

Can anyone answer the question: Are there possibilities to paleontologists to use nanotechnology for solving problems related to different areas of their research?

06 December 2020 5,335 3 View

Request: A Data mining free software?

I wonder if anyone can thankfully provide me with a free software to analyze data mining and/or artificial intelligence.

16 November 2020 9,723 13 View

How I can separated aluminum sulphate from nickel sulphate solution. I am working on spent randy nickel after hydrogenation of vegetable oil ?

Current I am using calcium hydroxide but at higher pH it make gel type material

09 November 2020 3,321 3 View

I want to design a equivalent circuit for series feed network...can any one provide me something useful?

I couldn't find it in any books and articles. I want to series feed two-slot antenna arrays but it is not giving me enough bandwidth. I want to design an equivalent circuit for the series feed...

19 October 2020 4,664 3 View

Kindly, help me in molecular docking. What is mean (Average number of poses per run)? and it is favorable to be high (10) or (6)?

Complement of the day, Kindly help me to understand poses per run and its importance to increase the activity of compound or decrease it. my greetings,

28 September 2020 9,194 2 View

How Geochemical models help in solution chemistry in the experiment?

Added Si to nutrient solution carrying metals and mineral nutrients under acidic conditions, therefore, it's necessary that they provide evidence that Si addition does not cause pH fluctuations...

26 September 2020 7,706 2 View

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20 September 2020 3,125 3 View

Which step prefer to do centrifuge in plant extracted?

Some types of plant herbs were extracted with alcohol in order to obtain their pigments and add specific chemicals materials to obtain their nano scale features ... The question is, are they...

30 August 2020 4,718 4 View

How to do CHARMM to GROMACS conversion?

I have generated a .str file from .pdb file using CGenFF server. But whenever I try to convert the .str file to gromacs specific topology using: python3 cgenff_charmm2gmx_py3_nx2.py JZ4...

24 August 2020 3,593 3 View

LOAD DISPLACEMENT CURVES Stiffness increasing in ANSYS non linear analysis. HOW CAN I CORRECT IT?

Hi. I am doing non linear FE analysis using a new material beam under flexural 2 point loading using ANSYS. I have defined a bilinear material model. The solution has converged. In results I am...

01 March 2021 9,911 3 View

Why the results when using wall thickness and when using shell conduction are different in ansys fluent?

Actually, I am running cfd simulation for a heat exchanger which has two fluids one hot and other one is cold fluid. there is a solid domain between them, which I removed and instead I have used...

01 March 2021 9,537 2 View

Joint behaviour in Abaqus is not captured well?

I am working on roof joint and trying to simulate the behaviour in Abaqus. I am successful in running the model but the final graph does not follow the experimental curve in the negative direction...

01 March 2021 6,661 3 View

How much pressure we can reduce at the outlet to avoid Reverse Flow?

I am simulating Heat Exchanger. I have tried and tested all the methods to resolve this issue from the internet like refining mesh, improving skewness and orthogonal quality ,extending outlet to...

01 March 2021 6,985 3 View

How to modify Johnson cook equation in ABAQUS?

I wanted to add an extra parameter to the existing Johnson cook equation in the ABAQUS simulation. How to add those extra parameters. Ref: A modified Johnson-Cook material model with strain...

28 February 2021 4,841 3 View

How can we simulate an hyperelastic-viscoelastic behavor with Ansys APDL?

I am working on modeling and simulation of biomecanical material behaviour, I have succeded on simulating skin using anisotropic hyperelastic material, on APDL and in our lab's finite element...

28 February 2021 552 3 View

How to find the right number of integration points in second order 3d finite elements?

I am familiar with finite element simulations and numerical schemes like the Gauss Legendre quadrature. I also know that the Gauss integration yields exact values for polynomials up to degree 2n-1...

27 February 2021 6,818 3 View

What could be the reason for not having further low chi square value (better agreement) in my refinement result?

I have tried every combination of parameter changes and after that i have a poor chi square value. I can't get it lower any further. I know there have been a lot of discussion about Rietveld...

26 February 2021 8,480 3 View

What is the best way to calculate the angles of twist for concrete columns subjected to torsional moment using finite element software?

In Finite element software like ANSYS , there is difficulty in obtaining direct results of twisting of concrete members because SOLID65 which is the unique element designed to represent concrete...

26 February 2021 3,806 2 View

How do you mesh a thin solid in Fluent?

Hello, I have used the shell function on SpaceClaim to create thin solids for the model I am studying. These are contained within an enclosure for my study. I chose this approach as it avoids the...

24 February 2021 8,856 3 View