physical chemistry

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Physical chemistry is developed on the basis of physics and chemistry. It takes rich chemical phenomena and systems as its object, adopts a large number of theoretical achievements and experimental techniques of physics, explores, induces and studies the basic laws and theories of chemistry, and constitutes Chemical Science The theoretical basis of. The level of physical chemistry reflects the depth of chemical development to a considerable extent.

Chinese name: physical chemistry
Foreign name: Physical Chemistry

Nature: Secondary discipline
Discipline code: fifteen thousand and thirty^[4-5]

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Discipline Introduction

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Physical chemistry is based on the principles of physics and experimental techniques to study the properties and behaviors of chemical systems, discover and establish Special law The discipline of.

With the rapid development of science and the mutual penetration of various disciplines, physical chemistry and physics inorganic chemistry 、 Organic chemistry In terms of content, there are boundaries that are difficult to be accurately divided, so that new branches such as physical organic chemistry Biophysical chemistry 、 Chemical Physics Etc. Physical chemistry is also closely related to many non chemical disciplines, such as Metallurgy In Physical metallurgy In fact, it is metal physical chemistry.

Development history

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In 1752, the concept of "physical chemistry" was Russia Scientist Romonsonov St. Petersburg University It was first proposed in A Course in True Physical Chemistry.

It is generally believed that the formal formation of physical chemistry as a discipline began in 1887 when German chemist Ostwald and Netherlands chemist Vantov It started with the first issue of the Journal of Physical Chemistry. From this period to the early 20th century, physical chemistry Chemical thermodynamics It is characterized by its vigorous development.

First law of thermodynamics and The second law of thermodynamics It is widely used in the study of various chemical systems, especially solution systems. Gibbs pair Polyphase equilibrium The study of the system and the study of the chemical equilibrium by Vantov, proposed by Arenius Ionization theory ， Nernst The discovery of heat theorem is an important contribution to chemical thermodynamics.

When Louis proposed to deal with the non ideal system in 1906 Fugacity and activity After the concepts and their determination methods, all the bases of chemical thermodynamics have been prepared. Laue and Bragg's creative research on X-ray crystal structure analysis is a classic Crystallography Towards modern times Crystallization chemistry And laid the foundation for its development. Arenius on Chemistry Reaction activation energy The concept of, and Bodenstein and Nernst about chain reaction The concept of chemical kinetics Has also made important contributions to its development.

In the 1920s and 1940s Structural chemistry In the leading development period, the physical chemistry research at this time has gone deep into the microscopic atomic and molecular world, changing the ignorance of the complexity of the internal structure of molecules.

In 1926, quantum mechanics The rise of research has not only set off a climax in physics, but also has a great impact on physical chemistry research. Especially in 1927, Heitler And London's quantum mechanical treatment of the hydrogen molecule problem, shared by Louis in 1916 Electron pair Of Valence bond The concept provides a theoretical basis. In 1931, Pauline and Slater put this processing method Promote to others Diatomic molecule and Polyatomic molecule , formed Chemical bond The valence bond method of. In 1932, Maliken When dealing with the problem of hydrogen molecule, Hong De physical model , using different heuristics wave function , thus developing molecular orbital method.

Valence bond method and Molecular orbital method Has become modern Chemical bond theory The foundation of. Proposed by Bao Lin et al Track hybridization Law and hydrogen bond and Electronegativity The concepts of structural chemistry have also played an important role in the development of structural chemistry. During this period, other branches of physical chemistry were more or less micro colored, such as those developed by Hinshelwood and Semyonov Free radical Chain type reaction kinetics ， Debye and Huckel Of Strong electrolyte The theory of mutual absorption of ions, and electrochemistry in Electrode process Research progress—— Hydrogen overvoltage Theory.

the Second World War During the late 1960s, physical chemistry experimental study Means and measuring technique In particular, it is characterized by the rapid development of various spectroscopic technologies and the fruitful results resulting therefrom.

Electronics high vacuum and computer technology The rapid development of physical chemistry not only makes the traditional experimental methods and measurement techniques of physical chemistry Accuracy 、 Precision and time resolution It has been greatly improved, and many new spectroscopic techniques have emerged. spectroscopy With the continuous improvement of time resolution, self-control and recording means of other spectroscopy, the research object of physical chemistry is beyond ground state Stabilizing molecules and starting to enter various excited state Research field of.

photochemistry First of all, great progress has been made, because spectral research has clarified the essence of the preliminary photochemical process, and promoted the research on various chemistry reaction mechanism Research. These fast and sensitive detection methods can find Reaction process Appears in transient Intermediate product , so that the reaction mechanism is no longer just from the reaction rate equation A conclusion based on conjecture. These detection methods have also greatly promoted the development of chemical kinetics.

Advanced instruments, equipment and detection means also greatly shorten the time for determining the structure, making crystal chemistry Biomacromolecule crystal structure Major breakthroughs have been made in this regard, penicillin 、 Vitamin B12 、 protein 、 insulin Structure determination and Deoxyribonucleic acid Of Spirochete The determination of configuration was successful. Electron spectroscopy The appearance of the new technology has enabled the research of structural chemistry to shift from the bulk phase of objects to the surface phase, which is a powerful new technology for solid surfaces and catalysts research method 。

In the 1960s, Laser The invention and continuous improvement of laser technology. Large capacity high-speed electronics computer The appearance of, and weak signal detection The invention of means is pregnant with new growing point The birth of.

Since the 1970s, Molecular reaction dynamics 、 Laser chemistry And surface structure chemistry represent the frontier of physical chemistry. The research object is from general Bonding Molecular expansion to quasi bonded molecules Van der Waals Molecules Atomic cluster , molecular clusters and Non stoichiometric compounds 。 In the experiment, it can not only control the "C" degree and pressure of the chemical reaction, but also reactant Inside the molecule quantum state , Energy and Spatial orientation Exercise control.

In terms of theoretical research Large electronic computer Accelerated quantum chemistry Development in quantitative calculation. For many chemical systems, Schrodinger equation It is no longer expected but inextricable. Kenichi Fukui The frontier orbit theory proposed and Woodward And Hoffman Conservation principle of molecular orbital symmetry The establishment of quantum chemistry is an important development.

Physical chemistry is still absorbing the research results of physics and mathematics, for example, in the early 1970s, Prigokin And so on Dissipative structure theory , make Nonequilibrium state The theoretical research has made gratifying progress and deepened people's understanding of the stability of systems far from equilibrium.

The development history of physical chemistry in China in 1949 The People's Republic of China was founded Is the boundary, which can be roughly divided into Two stages 。 In the 1930s and 1940s, although the material conditions were weak, the older generation of physical chemists not only focused on chemical thermodynamics electrochemistry Colloid and surface chemistry, molecular spectroscopy X-ray crystallography 、 quantum chemistry They have made considerable achievements and trained many talents in physical chemistry.

After 1949, after decades of efforts, physical chemistry teaching and research sections were set up in various colleges and universities to train talents. At the same time, relevant research institutes of the Chinese Academy of Sciences and Key institutions of higher learning A physical chemistry laboratory has been set up, which focuses on structural chemistry, quantum chemistry, catalysis, electrochemistry Molecular reaction dynamics And other aspects have made gratifying achievements.

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research contents

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With the rapid development of science and the mutual penetration of various disciplines, physical chemistry and physics inorganic chemistry 、 Organic chemistry There are more and more overlapping new fields between them, which constantly generates many new branches, such as physical organic chemistry Biophysical chemistry 、 Chemical Physics Etc. Physical chemistry is also closely related to many non chemical disciplines, such as Physical Chemistry of Metallurgical Process 、 Marine physical chemistry 。 Generally recognized research contents of physical chemistry can be summarized into three aspects:

1. Macro equilibrium properties of chemical system Based on the three basic laws of thermodynamics, this paper studies the macro chemical systems (including systems with molecular numbers around 10) in the gas, liquid, solid Dissolved state And highly dispersed Equilibrium state Physical and chemical properties and Regularity 。 Because of the premise of equilibrium, time is no longer a variable. The branches of physical chemistry in this field are Chemical thermodynamics 、 Chemical statistical mechanics , solution chemistry Colloid chemistry and surface chemistry 。

2. Microstructure and properties of chemical system Based on quantum mechanics, we study the structure of molecules, molecular clusters and crystals, and the atomic and molecular space structure , surface phase structure, and Structure and physical properties The relationship and regularity between them. The branches of physical chemistry in this field are Structural chemistry 、 Crystal chemistry and quantum chemistry 。

3. Dynamic properties of chemical system Study the chemical changes of the system caused by the disturbance of chemical or physical factors Process rate And change mechanism. At this point, time is one of the important variables closely related to the process. The branches of physical chemistry in this field are chemical kinetics 、 Chemical dynamics , catalytic science and technology photochemistry 、 electrochemistry 、 Magnetochemistry 、 Sonochemistry 、 Mechanochemistry (with Tribochemistry Is representative), etc.

In terms of theoretical research Large electronic computer and numerical method The extensive application of quantum chemistry has expanded the ability of quantum chemistry in quantitative calculation. The research object not only involves macromolecule It can also be used to simulate the dynamic process of complex systems. Kenichi Fukui Proposed frontier orbital And R B. Woodward And R. Hoffman Conservation principle of molecular orbital symmetry It is an important theoretical achievement when quantum chemistry is applied to specific chemical systems. However, the level of solving and understanding all chemical problems based on quantum chemistry has not been reached as expected. The close combination of the basic principles of quantum mechanics and chemical experiments will help solve this problem. To this end, we will develop new methods that can be applied to complex molecular systems Quantum chemical calculation method Is one of the prerequisites for achieving the above goals. So W. Cohen density functional theory And J. Popper obtained the Nobel Prize in Chemistry 。^[2]

Opening colleges and universities

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There are many colleges and universities offering this major in China, and only the top 20 colleges and universities are listed here:

ranking	School name	Star rating
one	Jilin University	5★
two	Fudan University	5★
three	Xiamen University	5★
four	University of Science and Technology of China	5★
five	Nankai University	5★
six	Nanjing University	5★
seven	Peking University	5★
eight	Zhejiang University	5★
nine	Tsinghua University	4★
ten	Shandong University	4★
eleven	Dalian University of Technology	4★
twelve	Fuzhou University	4★
thirteen	East China University of Science and Technology	4★
fourteen	Beijing University of Chemical Technology	4★
fifteen	WuHan University	4★
sixteen	Beijing Normal University	4★
seventeen	Sun Yat-sen University	4★
eighteen	Tianjin University	4★
nineteen	Shanghai Jiaotong University	4★
twenty	Sichuan University	4★^[3]

Development trend

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Achievements in physics and mathematics, plus computer technology The rapid development of physical chemistry provides a new field for the development of physical chemistry. Because it is no longer limited to the equation Analytic solution 、 numerical method The application of elastomer And other non ideal systems All have To become the research object of physical chemistry material science The research on technology adds new theoretical weapons and is closer to engineering practice. In the early 1970s, I Prigokin Proposed by, etc Dissipative structure theory , making physical and chemical Theoretical system From traditional equilibrium thermodynamics to brand-new Non-equilibrium thermodynamics The understanding of the stability of systems far from equilibrium will help people deepen their understanding of many practical processes, including life processes.

In the late 1980s Scanning tunneling microscopy The rise of microscopic microscopy represented by nanoscience And technology development. nanometer material Not only does it have a strong application background, but the research on the synthesis, characterization, function and application of materials often involves a variety of disciplines and technologies, and has a very close relationship with most chemical fields, providing a new research field for the development of modern chemistry. because Nanoscale Contained in particles of Number of particles The order of magnitude of is far from the classical physical and chemical system, so the development of physical and chemical theoretical research and experimental methods suitable for nano systems will become another challenging new field in physical chemistry in the 21st century.

Catalysis is one of the permanent subjects in chemical research. It has great significance in chemical production, energy, agriculture, life science, medicine and other fields, but so far Catalysis The principle of reaction mechanism There is still doubt that the catalyst with high catalytic effect for a particular reaction system can not be designed at will. Combinatorial chemistry The application of the method can speed up the screening process of effective catalysts and will help speed up Catalytic theory Development of.

Enzyme catalysis And enzyme like catalysis are new fields in catalysis science and technology, which will promote Structural chemistry , synthetic chemistry Chemical biology And physics, biology and other technical fields, and will greatly improve chemical industry productivity At the same time, promote green chemistry Achievement of goals.

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