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1、2022/9/16381Atkins Physical Chemistry化學(xué)系催化研究所 2022/9/16382Chapter 0: IntroductionA map of physical chemistryAbout author About textAbout course2022/9/16383Rests on three main conceptual theories: quantum mechanics statistical mechanics thermodynamics1、A map of physical chemistry2022/9/16384Quantum m

2、echanics describes the motions and energies of microscopic particles, such as electrons, nuclei, atoms, and molecules. Given an expression for the potential energy of interaction of any group of these particles, quantum mechanics allows us, at least in principle, to compute properties of the particl

3、es such as the probabilities that they have certain positions and momenta, and the quantized energy levels1、A map of physical chemistry2022/9/16385In contrast to quantum mechanics, thermodynamics deals with the interdependence of macroscopic properties, such as the temperature, pressure, and concent

4、rations. Two facets useful in applications to the life sciences. The first, thermodynamics places strict limitations on the interconversion of different forms of energy. Since the interconversion of heat, chemical energy, electrical energy, mechanical energy, and light is basic to life, it is clear

5、that thermodynamics must be at the center of any physical description of living matter.1、A map of physical chemistry2022/9/16386The second important facet of thermodynamic theory is that it allows us to predict the position of any chemical equilibrium, knowing only the properties of the substances i

6、nvolved in the reaction. This is of great importance in understanding metabolism. 1、A map of physical chemistry2022/9/16387In addition to these two facets, thermodynamics concepts are borrowed for use in other less fundamental theories, such as that of chemical kinetics. This is why we take up therm

7、odynamics at the start of the book, and treat it thoroughly enough so that before long you may regard it as an old friend.1、A map of physical chemistry2022/9/16388Thermodynamics:Physical behaviour of solid, liquid, gas and mixed phases Energy interconversion via physical processes (e.g., compression

8、,expansion, mixing, heating, cooling, etc.) and chemical processes (chemical reactions, combustion, ionization, etc.)1st law: “book-keeping”, making sure energy is conserved, and knowing where energy goes or comes from2nd law: “spontaneity”, knowing why processes actually occur,why beautiful, orderl

9、y entities are created from seemingingly randomnessPractical applications: industrial processes, everyday phenomena, safe chemistry, understanding new materials1、A map of physical chemistry2022/9/16389Statistical mechanics bridges the microscopic realm of quantum mechanics and the macroscopic realm

10、of thermodynamics. This theory tells us how to use the energies of the individual particles described by quantum mechanics to arrive at the properties of the macroscopic system. 1、A map of physical chemistry2022/9/163810An example of an application of statistical , mechanics is the computation of th

11、e pressure (a macroscopic property) of liquid argon as a function of its temperature and volume. Values of the pressure, in good agreement with experiment, can be calculated if one starts with an accurate potential energy function for the interaction of two argon atoms. Such a potential energy funct

12、ion can be obtained from quantum mechanics. 1、A map of physical chemistry2022/9/163811The er to the study of physical chemistry finds one feature: the language of mathematics. Three reasons The first is precise definition. The second benefit is the possibility of math deduction. The third reason for

13、 using math is more important in science. Scientists can estimate the probable error in a quantity they are calculating or measuring. Few scientific experiments lead to a clear “yes” or “no” answer; more often the answer are of the form “maybe yes” or “perhaps no”. To be sure of the conclusion, one

14、must be able to judge the size of the error in the measurements and to know just how big is the “perhaps”.1、A map of physical chemistry2022/9/163812量子化學(xué)、結(jié)構(gòu)化學(xué)、化學(xué)熱力學(xué)、熱化學(xué)、統(tǒng)計(jì)熱力學(xué)、化學(xué)動(dòng)力學(xué)、溶液理論、電化學(xué)、光化學(xué)、膠體化學(xué)、磁化學(xué)、放射化學(xué)、原子核化學(xué)、結(jié)晶化學(xué)等1、A map of physical chemistry2022/9/1638132、About authorsPeter AtkinsPeter Atkins

15、is professor of chemistry at Oxford University, a fellow of Lincoln College, and the author of more than 30 books. He has held visiting professorships in Israel, France, Japan, China, and New Zealand. Professor Atkins worked in industry for two years before studying at Leicester University, where he

16、 received his Ph.D., and at the University of California, Los Angeles. His Physical Chemistry broke new ground by stressing understanding above the memorization of facts and formulas. Nearly 20 years later, it is still the leading text in its field. His other books include Inorganic Chemistry; The E

17、lements of Physical Chemistry; Concepts in Physical Chemistry; Quanta; and, most recently, Molecular Quantum Mechanics (all published by Oxford University Press). Molecules, The Second Law, and Atoms, Electrons, and Change, and The Periodic Kingdom. He serves on the International Union of Pure and A

18、pplied Chemistrys committee on physical chemistry.2022/9/163814Julio de Paula is professor of chemistry at Haverford College, where he teaches general chemistry, physical chemistry, and biophysical chemistry, and conducts research in photochemistry and photobiology. 2、About authorsJulio de PaulaAfte

19、r obtaining a doctorate in chemistry from Yale University, he was a National Institutes of Health Postdoctoral Fellow at Michigan State University, and then took up his current position at Haverford in 1989. He was awarded a Henry Dreyfus Teacher-Scholar Award in 1998.2022/9/1638153、About textbookPa

20、rt 1: Equilibrium 1 The properties of gases 2 The First Law: the concepts 3 The First Law: the machinery 4 The Second Law: the concepts 5 The Second Law: the machinery 6 Physical transformations of pure substances 7 Simple mixtures 8 Phase diagrams 9 Chemical equilibrium 10 Equilibrium electrochemis

21、try 2022/9/163816Part 2: Structure 11 Quantum theory: introduction and principles 12 Quantum theory: techniques and applications 13 Atomic structure and atomic spectra 14 Molecular structure 15 Molecular symmetry 16 Spectroscopy 1: rotational and vibrational spectra 17 Spectroscopy 2: electronic tra

22、nsitions 18 Spectroscopy 3: magnetic resonance 19 Statistical thermodynamics: the concepts 20 Statistical thermodynamics: the machinery 21 Molecular interactions 22 Macromolecules and aggregates 23 The solid state3、About textbook2022/9/163817Part 3: Change 24 Molecules in motion 25 The rates of chem

23、ical reactions 26 The kinetics of complex reactions 27 Molecular reaction dynamics 28 Processes at solid surfaces 29 Dynamics of electron transfer 3、About textbook2022/9/1638183、About textbook2022/9/163819物理化學(xué)的主要理論支柱熱力學(xué)、統(tǒng)計(jì)力學(xué)和量子力學(xué)物質(zhì)的任一均勻狀態(tài)相相變、能量轉(zhuǎn)化和化學(xué)變化 物理化學(xué)變化可能性：平衡問題 化學(xué)熱力學(xué)速率：到達(dá)平衡所需的時(shí)間化學(xué)動(dòng)力學(xué)分子、原子結(jié)構(gòu)及微觀粒

24、子的運(yùn)動(dòng)規(guī)律統(tǒng)計(jì)力學(xué)、結(jié)構(gòu)化學(xué)及量子化學(xué)4、About course2022/9/163820理論聯(lián)系實(shí)際化工、材料、冶金、輕工勤于思考、認(rèn)真推理堂課教學(xué)與習(xí)題練習(xí)結(jié)合堂課教學(xué)與實(shí)驗(yàn)相結(jié)合領(lǐng)會(huì)解決實(shí)際問題的科學(xué)方法4、About course學(xué)習(xí)物理化學(xué)的要求及方法2022/9/163821Trying to learn physical chemistry solely by reading a textbook without working problems is about as effective as trying to improve your physique by readi

25、ng a book on body conditioning without doing the mended physical exercises.I. N. Levine, Physical Chemistry, 5th Edition, McGraw Hill, 20024、About course學(xué)習(xí)物理化學(xué)的要求及方法2022/9/163822Physical Chemistry is not a “memory-based”, learn-by-rote discipline, but is centred upon problem-based learning. However,

26、 you must practice solving problems, deriving equations, etc. to e proficient.4、About course學(xué)習(xí)物理化學(xué)的要求及方法2022/9/163823I believe that the physical chemistry laboratory is the place for a student to begin to make the transition from student to scientist. We plish this by treating each experiment as a s

27、mall research problem, and by thinking about in terms of choosing a problem, searching the literature, designing the experiment, executing the experiment, reducing the data, analyzing the errors, and writing the report.R.J. Sime Physical Chemistry: Methods, Techniques, and Experiments, 19884、About c

28、ourse學(xué)習(xí)物理化學(xué)的要求及方法2022/9/1638244、About course2-3人組成學(xué)習(xí)小組，一起討論，用英文完成習(xí)題多看 “Checklist of key ideas”參考書目：1、天津大學(xué)編，王正列、周亞平修訂物理化學(xué)(第四版)高等教育出版社，20012、南京大學(xué)編物理化學(xué)(第五版)高等教育出版社，20063、胡英主編物理化學(xué)(第四版)高等教育出版社， 20004、傅玉普主編多媒體CAI物理化學(xué)(第二版)大連理工大學(xué)出版社，20002022/9/1638255、About Examination1、期末筆試：60%2、習(xí)題作業(yè)：30%3、討論等平時(shí)成績(jī)：10%2022/9

29、/163826Chapter 1: The properties of gasesThis chapter establishes the properties of gases that will be used throughout the text. It begins with an account of an idealized version of a gas, a perfect gas, and shows how its equation of state may be assembled experimentally. We then see how the propert

30、ies of real gases differ from those of a perfect gas, and construct an equation of state that describes their properties.2022/9/1638271.1 The state of gases Physical properties Physical state Same physical properties same physical stateEquation of state Ex: the state of a pure gas (p,T,V,n):p = f (T

31、,V,n)Chapter 1: The properties of gasesThe perfect gas2022/9/163828(a) Pressure SI unit of p: 1 Pa = 1 N m-2 =1 kg m-1 s-2 Standard pressure: p : 105 Pa ( 1 bar ) A table of pressure units: see page 4Chapter 1: The properties of gases2022/9/163829the higher pressure and lower pressure Mechanical equilibriumChapter 1: The properties of gases2022/9/163830the measurement of pressure barometerChapter 1: The properties of gasesHg2022/9/163831the measurement of pressure