The Science Fiction World of Xueba

Chapter 228 Computational Chemistry

Pang Xuelin smiled slightly, and was well prepared for what Wan Yi said.

"Professor Wan, that is the conventional method of growing carbon nanotubes. For example, we use the size of the catalyst to control the diameter of single-walled carbon nanotubes. By prolonging the service life of the catalyst, we can grow ultra-long carbon nanotubes and change the growth process. atmosphere to achieve metal-semiconductor-type control of single-walled carbon nanotubes and so on."

"However, we now have a complete method for preparing ultra-high-purity single-walled carbon nanotubes. The diameter and length of the single-walled carbon nanotubes prepared by this method are basically the same. What we have to do It is on this basis, how to make these micron-scale single-walled carbon nanotubes can be effectively connected through some special physical and chemical methods, so as to realize the preparation of single-walled carbon nanotube fibers under macroscopic conditions..."

"Connect these single-walled carbon nanotubes by special physical and chemical methods?"

Everyone present couldn't help but look at each other.

This formulation is quite novel.

One of the reasons why the academic circles are unable to prepare carbon nanotube fibers on a large scale is that the controlled preparation of ultra-high-purity single-walled carbon nanotube structures has not been realized.

This problem has been solved by Pang Xuelin's paper in "Nature" not long ago.

The second problem is that there is no way to combine the fine structure control and macro preparation of carbon nanotubes.

In fact, in some top university laboratories, trace amounts of high-purity single-walled carbon nanotubes have been prepared, with the output reaching the gram level at most, and the highest purity is close to 99.5%.

Although it is not comparable to the 99.99999% electronic-grade single-walled carbon nanotubes prepared by Pang Xuelin before, it is already a very important breakthrough in this field.

However, once these carbon nanotubes are prepared in large quantities and their output is increased, the purity of single-walled carbon nanotubes will drop rapidly to about 95%.

The paper by Pang Xuelin not only can produce 99.99999% ultra-high-purity carbon nanotubes, but also can achieve kilogram-level laboratory mass production.

These two points are enough to make the Carbon Nanomaterials Research Center of Jiangcheng University rank among the top carbon nanomaterials research institutions in the world.

It is precisely because of this breakthrough that Pang Xuelin was able to overwhelm Li Changqing and take up the post of director of the Carbon Nanomaterials Research Center of Jiangcheng University.

"Professor Pang,

How sure are you? "

Wan Yi looked at Pang Xuelin Dao without blinking.

It was the first time for him to cooperate with Pang Xuelin. Although he had heard that Pang Xuelin was very good before, but this time Pang Xuelin drew a big cake for everyone, which still made him feel a little uneasy.

Pang Xuelin laughed and said, "Eighty to ninety percent, if I'm not sure, why should I spend tens of millions to ask everyone to order the black box directly? This is my father's money..."

When he said this, everyone in the conference room couldn't help laughing.

Only then did they remember that Pang Xuelin was not only the leader of this research, but also the investor of this research.

Pang Xuelin said with a smile: "Okay, next, I will explain the specific operation method to everyone in the form of slides!"

With that said, Pang Xuelin turned on the projector in the office and connected it to his notebook.

...

Time passed by every minute and every second.

The whole morning was spent quickly in Pang Xuelin's explanation.

It wasn't until half past twelve that Pang Xuelin was halfway through his presentation.

Pang Xuelin simply asked someone to order takeaway and deliver it to the meeting room, and then he finished his meal in the meeting room and continued the explanation just now.

It was not until three o'clock in the afternoon that Pang Xuelin basically explained the entire reaction principle and process.

"That's the general process of the whole experiment. Do you have any questions?"

Pang Xuelin looked at the people in the conference room and said.

At this time, Huo Ziqian said: "Professor Pang, you just said that the effective life of the catalyst can be extended by extending the constant temperature range for the growth of carbon nanotubes, but as far as I know, the cobalt-molybdenum catalyst that is currently commonly used is not suitable for the catalyst you mentioned. The service life is not very long under the temperature conditions, and our reaction is carried out in a black box, and there is no way to manually intervene in the reaction process, how do you guarantee to extend the service life of the catalyst?"

Pang Xuelin said with a smile: "It's very simple. We can use ferritin as a precursor to prepare cobalt-molybdenum catalysts. It is estimated that the minimum time can be extended by more than ten times. In addition, because ferritin has a single size, we can also use ferritin. Controlling the growth direction of carbon nanotubes..."

Yu Anxiang said: "Professor Pang, what about the vertical array of carbon nanotube growth, how do we control it?"

Pang Xuelin smiled slightly: "With water vapor, we can add water vapor into the reaction black box. The presence of water vapor can effectively achieve the vertical growth of carbon nanotube bundles."

"How to control the final chiral structure of carbon nanotubes?"

someone asked again.

Pang Xuelin said: "In fact, whether it is the control of geometric structure or the control of conductive properties, it will ultimately be a matter of controlling the chiral structure of carbon nanotubes. Since the catalyst and carbon nanotubes directly share an interface, the fine structure control of carbon nanotubes The core lies in the design of the catalyst. I believe everyone has discovered that the reaction black box is divided into two parts, and we can use high melting point tungsten carbide or molybdenum carbide as a solid catalyst..."

...

Time passed by every minute and every second, and the questions were one after another, but no matter how tricky the angle of the question was, Pang Xuelin could always use ingenious ways to answer it.

Everyone questioned this plan from the beginning, and gradually became accepted.

Finally, Ye Xingmin, who had been silent until now, said: "Professor Pang, according to your thinking, our reaction process cannot be manually intervened. We can only let the reaction black box execute automatically under the control of the computer, but the computer's control program What? We don’t know anything about this reaction until now. If we want to design a relatively complete control program, we must collect enough data. In addition, building a mathematical model requires supercomputing support. In this way, whether it is Funding or time, I am afraid the span will be longer.”

Everyone reacted immediately.

At present, according to the plan designed by Pang Xuelin, the previous budget was 50 million RMB, and now nearly half of it has been spent. Whether the remaining funds can be supported for so long is also a question.

Pang Xuelin laughed and said, "Don't worry, I've already made the mathematical model."

"Have you finished the mathematical model?"

Everyone couldn't help being surprised.

Wan Yi said: "Professor Pang, without actual data support, how did you do it?"

Pang Xuelin looked at the crowd and said: "Is this difficult, computational chemistry! The whole reaction process is deduced according to the first principles, but what I give now is only a theoretical mathematical model, but whether it fits with the actual operation is up to me. I can't guarantee it either"

When Pang Xuelin said this, everyone immediately reacted.

Computational chemistry is a branch of theoretical chemistry, the main purpose is to use effective mathematical approximation and computer programs to calculate the properties of molecules, such as total energy, dipole moment, quadrupole moment, vibration frequency, reactivity, etc., and to explain some specific chemistry problem.

However, to do this, the mathematical literacy requirements of a chemist or materials scientist are very high.

Even in the entire Jiang University, only Academician Xiao Wenbai of the School of Chemical Engineering has such a level.

Everyone did not expect that Pang Xuelin could do this.

But thinking about his identity as a mathematician, everyone was a little relieved.

This guy is a real bigwig in the mathematics world, and it seems really not difficult to do this.

...

After finalizing the overall experimental idea and plan, Wan Yi and the others will handle the rest of the work.

A week later, Pang Xuelin and Yao Bingxia boarded the plane to Germany together.

Pang Xuelin had already promised Schultz that if he was free, he would go to the University of Bonn for academic exchanges.

As a result, in the first half of the year, he didn't have much free time at all. After the summer vacation, the Carbon Nanomaterials Center was established. After he sorted out these things, it was already August.

August is the hottest time of the year in Jiangcheng. The highest temperature during the day is nearly 40 degrees. If you go out every day with an umbrella and apply sunscreen, it will be enough to peel people off.

On the contrary, in Germany, the hottest time of the year has passed, and the highest temperature is only 278 degrees.

After arriving in Bonn, Pang Xuelin received a warm reception from Schulz and gave a speech at the University of Bonn. As a result, top German universities such as the Technical University of Munich, the University of Heidelberg, and the University of Göttingen sent invitations one after another.

Even knowing that Pang Xuelin came to Europe, universities in several countries near Germany, such as ETH Zurich, Lund University in Sweden, and Ecole Normale Supérieure de Paris, France, also sent invitations to Pang Xuelin one after another.

Pang Xuelin couldn't shirk it, so he had to choose a few universities to give a report.

Throughout August, Pang Xuelin spent traveling around Europe giving speeches, and met Faltings in the middle.

When Faltings found out what carbon nanomaterials Pang Xuelin was working on recently, he was slightly disappointed, and warned Pang Xuelin, hoping that he would not waste his talent and eat more than he could chew, so he might as well focus on mathematics.

Pang Xuelin just smiled at this, he naturally understood the reason why he couldn't chew too much, but the problem was that he was different from ordinary scientists.

After binding the sci-fi world adventure system, recreating the technology drawn from the plane world in the real world is the meaning of his work.

During this month, apart from participating in academic lectures, Pang Xuelin also accompanied Yao Bingxia to visit some famous European attractions.

The Alps, Königssee, Neuschwanstein Castle, Hallstatt and other places have left their footprints.

In addition, when he went to ETH Zurich to give a speech, Pang Xuelin also took a special time to go to the European Center for Nuclear Research (CERN), which is a holy place for physicists.

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