Chapter 228: Computational Chemistry

Pang Xuelin smiled slightly, and was prepared for the question Wan Yi said.

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

"However, we now have a complete preparation method for ultra-high purity single-walled carbon nanotubes, and the single-walled carbon nanotubes prepared by this method have basically the same diameter and length of the tube......

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

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

It's a novel idea.

At present, one of the reasons why the academic community has not been able 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 of carbon nanotubes with macro-volume preparation.

In fact, in some top university laboratories, trace amounts of high-purity single-walled carbon nanotubes can be prepared, and the yield can reach the gram level at most, and the highest purity is close to 99.5%.

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

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

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

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

It is precisely with such a breakthrough that Pang Xuelin is able to overwhelm Li Changqing and serve as the director of the Carbon Nanomaterials Research Center of Jiangcheng University.

"Professor Pang, how sure are you?"

Wan Yi looked at Pang Xuelin without blinking.

It was the first time he cooperated with Pang Xuelin, although he had heard that Pang Xuelin was very godly before, but this time Pang Xuelin came up and drew a big cake for everyone, which still made him feel a little uneasy.

Pang Xuelin laughed and said: "Eighty or ninety, if you are not sure, why should I spend tens of millions of dollars to let everyone directly help customize the reaction black box?" It's my dad's money......"

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

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 to you the specific operation method in the form of a slideshow!" ”

As he spoke, Pang Xuelin turned on the projector in the office and connected his notebook.

……

Minutes and seconds passed.

The morning passed quickly in Pang Xuelin's explanation.

It wasn't until half past twelve in the afternoon that Pang Xuelin's slides were halfway through.

Pang Xuelin simply ordered takeout and sent it to the conference room, finished eating directly in the conference room, and continued the explanation just now.

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

"That's all for the whole experiment, do you have any questions?"

Pang Xuelin looked at the people in the conference room.

At this time, Huo Ziqian said loudly: "Professor Pang, you just said that the effective life of the catalyst can be extended by extending the constant temperature range of carbon nanotube growth, but as far as I know, the cobalt-molybdenum catalyst commonly used at present, under the temperature conditions you mentioned, the life is not very long, 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 ensure that the service life of the catalyst is extended?" ”

Pang Xuelin said with a smile: "Very simply, we can use ferritin as a precursor to prepare cobalt-molybdenum catalysts, which is expected to extend the time by more than ten times at the minimum." In addition, due to the single size of ferritin, we can also effectively control the growth direction of carbon nanotubes through ferritin......"

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

Pang Xuelin smiled slightly: "With water vapor, we can add water vapor to the black chamber of the reaction, and the presence of water vapor can effectively realize the vertical growth of carbon nanotube bundles." ”

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

Someone else asked.

Pang Xuelin said: "In fact, whether it is geometric structure control or conductive property control, it will ultimately be a problem of chiral structure control of carbon nanotubes. Since the catalyst directly shares an interface with the carbon nanotubes, the core of the fine structure control of the carbon nanotubes lies in the design of the catalyst. I believe you have all found that the reaction black box is divided into two parts, and we can use tungsten carbide or molybdenum carbide with high melting point as a solid catalyst......"

……

Time passed minute by minute, and questions were one after another, but no matter how tricky the angle of the question was, Pang Xuelin could always answer it in an ingenious way.

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

In the end, Ye Xingmin, who had not spoken out before, said: "Professor Pang, according to your thinking, our reaction process cannot be manually intervened, and we can only let the reaction black box be automatically executed under the control of the computer, but what about the computer's control program?" We don't know anything about this reaction until now, and if we want to design a more complete control program, we must collect enough data, and in addition, if we want to build a mathematical model, we need supercomputing support, so that whether it is money or time, the span may be long. ”

Everyone immediately reacted.

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, and whether the remaining funds can be supported for so long is probably also a question.

Pang Xuelin laughed and said, "Don't worry, I've done a good job of the mathematical model." ”

"Is the math model ready?"

Everyone couldn't help but be surprised.

Wan Yidao: "Professor Pang, how did you do it without actual data to support it?" ”

Pang Xuelin looked at everyone: "Is this difficult, computational chemistry!" The whole reaction process is derived from first principles, but what I am giving now is only a theoretical mathematical model, but I can't guarantee whether it fits into the actual operation."

As soon as Pang Xuelin said this, everyone immediately reacted.

Computational chemistry is a branch of theoretical chemistry whose main purpose is to use valid mathematical approximations and computer programs to calculate the properties of molecules, such as total energy, dipole moment, quadrupole moment, vibrational frequency, reactivity, etc., and to explain some specific chemical problems.

However, in order to do this, a chemist or materials scientist is required to have a high level of mathematical literacy.

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

Everyone didn't expect that Pang Xuelin could do this.

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

This is a real big man in the world of mathematics, and it seems that it is really not difficult to do this.

……

The overall experimental ideas and plans were determined, and the rest of the work was handed over to Wanyi to solve.

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

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

As a result, in the first half of the year, there was not much free time at all, and finally waited for the summer vacation, and the carbon nanomaterials center was established, and after he straightened out these things, the time was already in August.

August is the hottest time of the year in Jiangcheng, with a maximum temperature of nearly 40 degrees during the day.

In Germany, on the other hand, the hottest time of the year has passed, with a maximum temperature of 278 degrees.

After arriving in Bonn, Pang Xuelin received a warm reception from Schulz and gave a lecture at the University of Bonn, which resulted in invitations from top German universities such as the Technical University of Munich, the University of Heidelberg, and the University of Göttingen.

Even knowing that Pang Xuelin had come to Europe, universities in several countries near Germany, such as ETH Zurich, Lund University in Sweden, and Paris École Norse in France, also sent invitations to Pang Xuelin.

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

Throughout August, Pang Xuelin spent his time speaking around Europe, and met with Faltins in between.

When Faltins knew what carbon nanomaterials Pang Xuelin was going to work on recently, he was slightly disappointed, and warned Pang Xuelin, hoping that he would not waste his talent, be greedy and chew more, and it was better to focus on mathematics.

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

After binding the science fiction world adventure system, the technology extracted from the plane world is reproduced in the real world, which is the meaning of his work.

In this month, in addition to attending academic lectures everywhere, Pang Xuelin also accompanied Yao Bingxia to some well-known scenic spots in Europe.

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

In addition, when he went to Zurich to give a lecture, Pang Xuelin also took time to visit CERN, which is a sacred place for physicists.

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