Week 3: The Beginning of the Animation Projects

As I said in last week's blog, I am working on a series of animation projects for six variations that flexible MOFs can take. For this week, I tackled the first three variations, which are Rigid Linker Twisting 0D, Spin-Crossover, and Rigid Linker 1D. The difference between Rigid Linker Twisting 0D and 1D is the ligands's rigidity, which connects the metals together. 0D means that all the ligands in a MOF are flexible. On the other hand, 1D means that one set of ligands are not flexible, but the other ligands can still bend. Again the flexible MOFs only change shape when a guest is exposed to it, such as gas. Lastly, Spin-Crossover is when the MOF shrinks when a guest is exposed. In addition, it will expand back to its original state when the guest is removed.

Here's a visual representation of the difference between Rigid Linker 0D and Rigid Linker 1D:

Note that the red metal spheres represent the a given metal and the bars that connect them are the ligands. The black bar means that the ligand is flexible and the blue bar means that the ligand is rigid.

Rigid Linker 0D

Rigid Linker 1D

I'm currently finishing up the final touches for the animations of the first three variations and hopefully I can upload them in the future. Essentially, it will show that as gas molecules enter a hypothetical MOF, it will bend, shrink, and compress if it's a Rigid Linker Twisting 0D, Spin-Crossover, or Rigid Linker 1D respectively. For next week, I will continue with the next couple of variations and explain how those change their structure. In addition, I will start diving into the specific details of how MOFs are created and what instruments are used. 

Week 2: Blender

For the second week, I concentrated on learning Blender, an open source 3D modeling software. The goal of this part of the project is to visualize MOF interaction with a guest source, such as a gas. One variation of MOFs is flexible MOFs also known as Soft Porous Crystals (SPCs). These crystal structures can bend, twist, or shift depending on whether a guest is added or removed. It is an advantage because structurally rigorous MOFs had a tendency to collapse if the guest is removed.  In general, there are six known variations in which flexible MOFs can change. These are chains, single-type layers, interdigitated layers, pillared layers, expanding and shrinking grids, and interpenetrated grids. Over the next weeks, I can utilize Blender to portray these variations. As of now, I am learning the basics and beginner animation techniques. For next week, I'll be working on the first two variations, learning more animation techniques, and explaining them for the next blog.

Here's what Blender's user interface looks like:

Week 1: Introduction

As I have stated in the proposal, I will be focusing on the general properties of MOFs before I move on to other variations. This week, I mostly read and researched about MOFs in order to create a solid foundation. Essentially, MOFs are crystallized structures containing bonds between metal ligands (fibers that share electrons with the metal). The chemical bonds create a coordinated structure that has high micro-porosity, which can be used to store large volumes of gas in a small surface area. In addition, I have learned the basic process/idea in growing MOFs. The solution to create a membrane is by mixing dichloride methane (DCM), a polymer such as Poly Vinyl Cennemate (PVCi), and small crystals such as UiO-66 with a sonicator. Then, an electrospinner will contain the solution an draw out small samples and place it on a steel mesh. After the membrane is spun, UV light is shone onto the membrane, which causes the ligand fibers and small MOF crystals to grow. Although I only have a very basic grasp of the process. I hope to learn the more specific details throughout the course of this project.

Some of the research papers I have read are:

"The Hole Story" by Mark Peplow
http://www.nature.com/polopoly_fs/1.17274!/menu/main/topColumns/topLeftColumn/pdf/520148a.pdf

"Structuring of metal–organic frameworks at the mesoscopic/macroscopic scale" by Shuhei Furukawa, Julien Reboul, Stephane Diring, Kenji Sumida, and Susumu Kitagawa
https://www.researchgate.net/publication/262191799_Structuring_of_metal-organic_frameworks_at_the_mesoscopicmacroscopic_scale


MOF positioning technology and device fabrication by Paolo Falcaro, Raffaele Ricco, Cara M. Doherty, Kang Liang, Anita J. Hillb and Mark J. Stylesb
http://pubs.rsc.org/en/content/articlelanding/2014/cs/c4cs00089g#!divAbstract - with this link there is a download option on the right side.

Looking forward to next week, I am going to see how I can use Blender, an 3D Modeling software, to replicate and create still images of different instruments and MOFs. In addition, I will focus on a more specific type of MOFs called flexible MOFs. These crystals have a tendency to bend or twist when exposed to certain types of gases. 

Syllabus

SENIOR RESEARCH PROJECT SYLLABUS

Student: Rohit Kumar

Project Title: The process of creating Metal Organic Frameworks (MOFs): analyzing its properties and general applications

Location: Engineering Research Center, Arizona State University

BASIS Advisor: Dr. Pete

On-Site Advisor: Professor Bin Mu

On-Site Advisor Contact Information: (Include address, phone #, and email):

Address:  Brickyard Engineering, S Mill Ave, Tempe, AZ

Phone number: 480-965-7939

Email: bmu@asu.edu

Mode of Daily Contact: Blog

Course Goals:

My research will be focusing on the process of creating Metal Organic Frameworks (MOFs). At the end of my term, I hope to understand the development of MOFs and how they can be applied. I will use prior research papers to understand the components of creating MOFs. Also, I can study the instruments that are used in development and learn how they contribute to the creation of MOFs. Furthermore, I can study general applications and how it can be utilized in the real world. In addition, I will use a 3-D Computer Modeling software called Blender to create animations of different processes since there are many instruments and components to create MOFs. These animations will simulate the procedures and techniques that are used to make MOFs. In order to achieve this goal, I will need to rigorously learn and practice the software on my own in order to create detailed animations and aesthetic images.

Course Texts:

1. Furukawa, Shuhei, Julien Reboul, Stéphane Diring, Kenji Sumida, and Susumu Kitagawa. "Structuring of Metal-organic Frameworks at the Mesoscopic/macroscopic Scale." Chemical Society Reviews 16 (2014): 5700-5734. The Royal Society of Chemistry. Web. 9 Dec. 2015.

2. Falcaro, Paolo, Raffaele Ricco, Cara M. Doherty, Kang Liang, Anita J. Hill, and Mark J. Styles. "MOF Positioning Technology and Device Fabrication." Chemical Society Reviews 43.16 (2014): 5513-560. The Royal Society of Chemistry. Web. 9 Dec. 2015.

MOF positioning technology and device fabrication by Paolo Falcaro, Raffaele Ricco, Cara M. Doherty, Kang Liang, Anita J. Hill and Mark J. Styles

Project Product Description:

I will write a paper analyzing and concluding the research I have learned and done throughout my project. I will also create a series of animations that will describe the process of making MOFs.

Proposal

Senior Research Project Proposal – Rohit Kumar

I. Working Title of the Project

The process of creating Metal Organic Frameworks (MOFs): analyzing its properties and general applications.

Rohit Kumar, BASIS Advisor TBD, Professor Bin Mu

II. Statement of Purpose

            My research will be focusing on the process of creating Metal Organic Frameworks (MOFs). I will use prior research papers to understand the components of creating MOFs. In addition, I will use a 3D Computer Modeling software called Blender to create animations of the different processes that are used to create MOFs. The questions that I will be answering include: what are the unique properties of MOFs, how MOFs can be used in the real world, and what are the most efficient ways to create MOFs?

III. Background

            Over summer, I was accepted into the Summer Engineering Program at Arizona State University within the Chemical Engineering Department. During those two months, I read papers and researched about MOFs to have a better understanding of the research that was taking place in the lab. I also observed and used different instruments that are used to create MOFs and effectively test them for different properties, such as crystal structure and porosity. After a couple weeks, I became interested in doing computer modeling, so I started to learn Blender and create images that represent the instruments that are used to test MOFs.

IV. Research Methodology

            I will primarily be using previous research papers to learn about the different properties and applications of MOFs. I will also observe and learn the instruments that are used to create MOFs. I will study the samples created in the lab and create conclusions based on my knowledge from previous research papers. I will also research techniques as well as learn on my own to develop my skills in Blender in order to effectively portray the process of creating MOFs.

V. Anticipated Problems

            Although Blender has been created years ago, there are limited resources to learn from the internet, specifically about the techniques to create aesthetic animations. Most of my learning will be on my own, and I have to be disciplined in order to make progress. Within the internship, my main concern is having errors while creating samples. The creation of MOFs is a long process and mistakes can be very costly in terms of time. Therefore, following procedures of each stage and taking detailed notes is critical to supplement my understanding of MOFs.

VI. Bibliography

1. Furukawa, Shuhei, Julien Reboul, Stéphane Diring, Kenji Sumida, and Susumu Kitagawa. "Structuring of Metal-organic Frameworks at the Mesoscopic/macroscopic Scale." Chemical Society Reviews 16 (2014): 5700-5734. The Royal Society of Chemistry. Web. 9 Dec. 2015.

2. Falcaro, Paolo, Raffaele Ricco, Cara M. Doherty, Kang Liang, Anita J. Hill, and Mark J. Styles. "MOF Positioning Technology and Device Fabrication." Chemical Society Reviews 43.16 (2014): 5513-560. The Royal Society of Chemistry. Web. 9 Dec. 2015.