initial reaction process for subbituminous coal pyrolysis with molecular dynamics simulation

卤氨化反应英语Here is an English essay on the topic of "Halogenation Reactions" with a word count of over 600 words:Halogenation reactions are a fundamental class of organic chemical transformations that involve the introduction of a halogen atom, such as chlorine, bromine, or iodine, into an organic compound. These reactions are of great importance in organic synthesis, as they provide a means to functionalize and modify organic molecules, leading to the creation of new and useful compounds.One of the most common types of halogenation reactions is the electrophilic halogenation of alkenes. In this process, an alkene, which is a carbon-carbon double bond, reacts with a halogen molecule (e.g., Cl2, Br2, or I2) to form a haloalkane, also known as an alkyl halide. The mechanism of this reaction typically involves the initial formation of a bromonium or chloronium ion intermediate, followed by the attack of a nucleophile, such as a halide ion, to displace the halogen and form the final product.For example, the reaction of ethene (C2H4) with bromine (Br2) would proceed as follows:C2H4 + Br2 → CH2Br-CH2Br (1,2-dibromoethane)The bromonium ion intermediate is formed first, and then the bromide ion attacks to displace one of the bromine atoms, resulting in the formation of 1,2-dibromoethane.Another important class of halogenation reactions is the radical halogenation of alkanes. This process involves the use of a radical initiator, such as ultraviolet light or peroxide, to generate a halogen radical, which then abstracts a hydrogen atom from the alkane to form a new alkyl radical. This alkyl radical then combines with another halogen molecule to produce the haloalkane product.For example, the reaction of methane (CH4) with chlorine (Cl2) under radical conditions would proceed as follows:CH4 + Cl· → CH3· + HClCH3· + Cl2 → CH3Cl + Cl·The initial chlorine radical abstracts a hydrogen atom from methane, forming a methyl radical, which then combines with another chlorine molecule to give chloromethane (CH3Cl).Halogenation reactions can also be used to functionalize morecomplex organic molecules, such as aromatic compounds. In these cases, the halogenation typically occurs through an electrophilic aromatic substitution mechanism, where the halogen electrophile replaces a hydrogen atom on the aromatic ring.For instance, the reaction of benzene (C6H6) with bromine (Br2) in the presence of a Lewis acid catalyst, such as FeBr3, would produce bromobenzene (C6H5Br):C6H6 + Br2 (FeBr3) → C6H5Br + HBrThe Lewis acid catalyst helps to activate the bromine molecule, facilitating the electrophilic substitution on the aromatic ring.Halogenation reactions have a wide range of applications in organic synthesis, including the preparation of various pharmaceutical intermediates, agrochemicals, and other valuable organic compounds. Furthermore, the halogenated products can serve as useful building blocks for further chemical transformations, allowing for the synthesis of more complex molecules.In conclusion, halogenation reactions are a versatile and essential tool in the field of organic chemistry, enabling the introduction of halogen atoms into organic compounds and facilitating the creation of a diverse array of useful and often complex chemical structures.。

1. Single Step100%OverviewSteps/Stages Notes1.1 R:NH2OH, S:H2O, S:EtOH, 48 h, reflux Reactants: 1, Reagents: 1, Solvents: 2, Steps:1, Stages: 1, Most stages in any one step: 1ReferencesNitrile and amidoxime compounds, theirpreparation and use in semiconductorprocessingBy Lee, Wai MunFrom U.S. Pat. Appl. Publ., 20090111965, 30Apr 2009Experimental ProcedureAB) Reaction of Benzonitrile. Benzonitrile (0.99 cm3, 1 g, 9.7 mmol) and hydroxylamine (50% in water,0.89 cm3, 0.96 g, 14.55 mmol, 1.5 eq) were stirred under reflux in EtOH (10 cm3) for 48 hours. Thesolvent was evaporated under reduced pressure and water (10 cm3) was added to the residue. Themixture was extracted with dichloromethane (100 cm3) and the organic extract was evaporated underreduced pressure. The residue was purified by column chromatography to give the product. N'-hydroxybenzimidamide, yield 1.32 g, 100%, as a white crystalline solid. mp 79-81° C. (lit 79-80° C.) CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.2. Single Step100%OverviewSteps/Stages Notes1.1 R:NH2OH, S:EtOH, 1 h, reflux; reflux → rt stereoselective, Reactants: 1, Reagents: 1,Solvents: 1, Steps: 1, Stages: 1, Most stagesin any one step: 1ReferencesPreparation of diaryl-substituted 5-memberedheterocycles as antibacterial agentsBy Mobashery, Shahriar et alFrom PCT Int. Appl., 2009082398, 02 Jul2009Experimental Procedure(Z)-N'-hydroxybenzamidine (compound 17-structure shown below): A solution of ethanol (5.0 mL),benzonitrile (203 mg, 1.97 mmol) and hydroxylamine (520 mg, 7.87 mmol) were refluxed for 1 hour.The reaction was then cooled to room temperature and concentrated in vacuo to give the a clear oilwhich was taken to the next step without further purification (268 mg, 100%). 1H NMR (500 MHz,CDCL3) δ(ppm): 4.92 (2H, bs), 7.38-7.44 (3H, m), 7.62-7.65 (2H, m). 13C NMR (125 MHz, CDCL3)δ(ppm): 126.1 (CH), 128.9 (CH), 130.2 (CH), 132.6, 152.8. MS (FAB+): 137 (MH+). HRMS forC7H8N2O (MH+): calculated: 137.0715; found 137.0718.CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.3. Single Step100%OverviewSteps/Stages Notes1.1 R:NH2OH, S:EtOH, 1 h, reflux; reflux → rt stereoselective, Reactants: 1, Reagents: 1,Solvents: 1, Steps: 1, Stages: 1, Most stagesin any one step: 1ReferencesPreparation of oxadiazole derivatives asantibacterial agentsBy Mobashery, Shahriar et alFrom PCT Int. Appl., 2009041972, 02 Apr2009Experimental Procedure(Z)-N'-hydroxybenzamidine (compound 17 - structure shown below): A solution of ethanol (5.0 mL),benzonitrile (203 mg, 1.97 mmol) and hydroxylamine (520 mg, 7.87 mmol) were refluxed for 1 hour.The reaction was then cooled to room temperature and concentrated in vacuo to give the a clear oilwhich was taken to the next step without further purification (268 mg, 100%). 1H NMR (500 MHz,CDCL3) δ(ppm): 4.92 (2H, bs), 7.38-7.44 (3H, m), 7.62-7.65 (2H, m). 13C NMR (125 MHz, CDCL3)δ(ppm): 126.1 (CH), 128.9 (CH), 130.2 (CH), 132.6, 152.8. MS (FAB+): 137 (MH+). HRMS forC7H8N2O (MH+): calculated: 137.0715; found 137.0718.CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.4. Single Step99%OverviewSteps/Stages Notes1.2 R:Disodium carbonate, S:H2OReferencesDiscovery and SAR exploration of N-aryl-N-(3-aryl-1,2,4-oxadiazol-5-yl)amines aspotential therapeutic agents for prostatecancerBy Krasavin, Mikhail et alFrom Chemistry Central Journal, 4, No pp.given; 2010CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.5. Single Step95%OverviewSteps/Stages Notes1.1 R:H2NOH-HCl, R:NaOH, S:H2O, 1 h, 30°C, pH 10; 2 h, reflux Reactants: 1, Reagents: 2, Solvents: 1, Steps:1, Stages: 1, Most stages in any one step: 1ReferencesTwo synthetic methods of 3,4-bis(3-nitrophenyl)furoxanBy Yang, Jian-ming et alFrom Hanneng Cailiao, 17(5), 527-530; 2009 CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.6. Single Step95%OverviewSteps/Stages NotesReferencesSynthesis of 3,4-bis(3',5'-dinitrophenyl-1'-yl)furoxanBy Huo, Huan et alFrom Hecheng Huaxue, 17(2), 208-210; 2009 CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.7. Single Step93%OverviewSteps/Stages Notes1.1 R:NH2OH, S:H2O, S:MeOH, > 1 min, 50°C; 3 h, reflux Reactants: 1, Reagents: 1, Solvents: 2, Steps:1, Stages: 1, Most stages in any one step: 1ReferencesQuinazoline derivatives as adrenergicreceptor antagonists and their preparation,pharmaceutical compositions and use in thetreatment of diseasesBy Sarma, Pakala Kumara Savithru et alFrom Indian Pat. Appl., 2005DE01706, 31Aug 2007CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.8. Single Step92%OverviewSteps/Stages Notes1.1 R:NH2OH, R:Et3N, S:EtOH, rt stereoselective, Reactants: 1, Reagents: 2,Solvents: 1, Steps: 1, Stages: 1, Most stagesin any one step: 1ReferencesPotent inhibitors of lipoprotein-associatedphospholipase A2: Benzaldehyde O-heterocycle-4-carbonyloximeBy Jeong, Hyung Jae et alFrom Bioorganic & Medicinal ChemistryLetters, 16(21), 5576-5579; 2006 CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.9. Single Step89%OverviewSteps/Stages Notes1.1 R:EtN(Pr-i)2, R:H2NOH-HCl, S:EtOH, 18 h, 80°C Reactants: 1, Reagents: 2, Solvents: 1, Steps:1, Stages: 1, Most stages in any one step: 1ReferencesTuned methods for conjugate addition to avinyl oxadiazole; synthesis ofpharmaceutically important motifsBy Burns, Alan R. et alFrom Organic & Biomolecular Chemistry,8(12), 2777-2783; 2010CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.10. Single Step91%OverviewSteps/Stages Notes1.1 R:NaOH, R:H2NOH-HCl, S:H2O, S:EtOH, 12 h, 80°C; cooled Reactants: 1, Reagents: 2, Solvents: 2, Steps:1, Stages: 1, Most stages in any one step: 1ReferencesPreparation of heteropolycyclic compoundsand their use as metabotropic glutamatereceptor antagonistsBy Edwards, Louise et alFrom U.S. Pat. Appl. Publ., 20050272779, 08Dec 2005Experimental ProcedureGeneral/Typical Procedure: Example 6 N-Hydroxy-3-methoxy-benzamidine. Using the generalprocedure of Shine et al., J. Heterocyclic Chem. (1989) 26:125-128, hydroxylamine hydrochloride (22ml, 5 M, 110 mmol) and sodium hydroxide (11 ml, 10 M, 110 mmol) were added to a solution of 3-methoxybenzonitrile (11.5 ml. 94 mmol) in ethanol (130 ml). The reaction mixture was then heated atreflux (80 °C.) for 12 h. After the mixture was cooled, most of the solvent was removed in vacuo. Thecrude product was partitioned between ethyl acetate and water, washed with saturated brine, driedover anhydrous sodium sulfate and the solvent was removed in vacuo. Flash chromatography on silicagel using 35-50% ethyl acetate in hexane yielded the title compound (8.05 g, 52%). Examples 7-9were prepared in an analogous method to the procedure given in Example 6. N-Hydroxy-benzamidine.N-hydroxy-benzamidine (4.83 g, 91%, white solid) was obtained from benzonitrile (4 g, 38.9 mmol),hydroxylamine hydrochloride (8.89 ml, 44.0 mmol) and sodium hydroxide (4.49 ml, 45.0 mmol) inethanol (30 ml). 1H NMR (CDCl3), δ (ppm): 8.81 (broad peak, 1H), 7.63 (m, 2H), 7.39(m, 3H), 4.91 (s,2H).CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.11. Single Step91%OverviewSteps/Stages Notes1.1 R:NaOH, R:H2NOH-HCl, S:H2O, S:EtOH, 12 h, 80°C literature preparation, Reactants: 1, Reagents:2, Solvents: 2, Steps: 1, Stages: 1, Moststages in any one step: 1ReferencesPreparation of five-membered heterocycliccompounds as mGluR5 receptor antagonistsBy Wensbo, David et alFrom PCT Int. Appl., 2004014881, 19 Feb2004CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.12. Single Step85%OverviewSteps/Stages Notes1.1 R:Et3N, R:H2NOH-HCl, S:EtOH, 18 h, reflux stereoselective (Z), Reactants: 1, Reagents: 2,Solvents: 1, Steps: 1, Stages: 1, Most stagesin any one step: 1ReferencesUnexpected C-C Bond Cleavage: Synthesisof 1,2,4-Oxadiazol-5-ones from Amidoximeswith Pentafluorophenyl or TrifluoromethylAnion Acting as Leaving GroupBy Gerfaud, Thibaud et alFrom Organic Letters, 13(23), 6172-6175;2011CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.13. Single Step85%OverviewSteps/Stages Notes1.1 R:Disodium carbonate, R:H2NOH-HCl, S:H2O, S:EtOH, 15 min,55°Cultrasound (40kHz), reaction withoutultrasound at room temperature decreasedyield and increased reaction time, Reactants:1, Reagents: 2, Solvents: 2, Steps: 1, Stages:1, Most stages in any one step: 1ReferencesSynthesis of amidoximes using an efficientand rapid ultrasound methodBy Barros, Carlos Jonnatan Pimentel et alFrom Journal of the Chilean ChemicalSociety, 56(2), 721-722; 2011CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.14. Single Step83%OverviewSteps/Stages Notes1.1 R:NaHCO3, R:H2NOH-HCl, S:H2O, S:EtOH, 4 h, 80°C Reactants: 1, Reagents: 2, Solvents: 2, Steps:1, Stages: 1, Most stages in any one step: 1ReferencesA novel bifunctional chelating agent based onbis(hydroxamamide) for 99mTc labeling ofpolypeptidesBy Ono, Masahiro et alFrom Journal of Labelled Compounds andRadiopharmaceuticals, 55(2), 71-79; 2012 CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.15. Single Step80%OverviewSteps/Stages Notes1.1 R:NaHCO3, R:H2NOH-HCl, S:H2O, 10 min, 25°C1.2 S:EtOH, 20 h, 25°C1.3 R:H2NOH-HCl, 50 h, 25°Cregioselective, other product also detected, in-situ generated reagent, Reactants: 1,Reagents: 2, Solvents: 2, Steps: 1, Stages: 3,Most stages in any one step: 3ReferencesSynthesis, mechanism of formation, andmolecular orbital calculations ofarylamidoximesBy Srivastava, Rajendra M. et alFrom Monatshefte fuer Chemie, 140(11),1319-1324; 2009CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.16. Single Step79%OverviewSteps/Stages Notes1.1 R:Disodium carbonate, R:H2NOH-HCl, S:H2O, S:EtOH Reactants: 1, Reagents: 2, Solvents: 2, Steps:1, Stages: 1, Most stages in any one step: 1ReferencesSynthesis of 1,2,4- and 1,3,4-oxadiazolesfrom 1-aryl-5-methyl-1H-1,2,3-triazole-4-carbonyl chloridesBy Obushak, N. D. et alFrom Russian Journal of Organic Chemistry,44(10), 1522-1527; 2008CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.17. Single Step85%OverviewSteps/Stages Notes1.1 R:K2CO3, R:H2NOH-HCl, S:EtOH1.2 R:HCl, S:Et2O, S:H2O1.3 R:NH3, R:NaCl1.4 S:Et2OReactants: 1, Reagents: 5, Solvents: 3, Steps:1, Stages: 4, Most stages in any one step: 4ReferencesModification of the Tiemann rearrangement:One-pot synthesis of N,N-disubstitutedcyanamides from amidoximesBy Bakunov, Stanislav A. et alFrom Synthesis, (8), 1148-1159; 2000 CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.18. Single Step76%OverviewSteps/Stages Notes1.1 R:EtN(Pr-i)2, R:H2NOH-HCl, S:EtOH, 6-12 h, 80°C Reactants: 1, Reagents: 2, Solvents: 1, Steps:1, Stages: 1, Most stages in any one step: 1ReferencesA versatile solid-phase synthesis of 3-aryl-1,2,4-oxadiazolones and analoguesBy Charton, Julie et alFrom Tetrahedron Letters, 48(8), 1479-1483;2007CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.19. Single Step70%OverviewSteps/Stages Notes1.1 R:Disodium carbonate, R:H2NOH-HCl, S:H2O, S:EtOH, 8 h, reflux Reactants: 1, Reagents: 2, Solvents: 2, Steps:1, Stages: 1, Most stages in any one step: 1ReferencesDesign, synthesis, characterization, andantibacterial activity of {5-chloro-2-[(3-substitutedphenyl-1,2,4-oxadiazol-5-yl)-methoxy]-phenyl}-(phenyl)-methanonesBy Rai, Neithnadka Premsai et alFrom European Journal of MedicinalChemistry, 45(6), 2677-2682; 2010 CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.20. Single Step70%OverviewSteps/Stages Notes1.1 R:H2NOH-HCl, R:NaHCO3, S:H2O, S:MeOH, 1 h, rt → 70°C; cooled stereoselective, Reactants: 1, Reagents: 2, Solvents: 2, Steps: 1, Stages: 1, Most stages in any one step: 1ReferencesDiscovery and Optimization of a Novel Series of N-Arylamide Oxadiazoles as Potent, Highly Selective and Orally Bioavailable Cannabinoid Receptor 2 (CB2) AgonistsBy Cheng, Yuan et alFrom Journal of Medicinal Chemistry, 51(16), 5019-5034; 2008Experimental ProcedureN-(9-Ethyl-9H-carbazol-3-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl) propanamide (37). To a mixture ofsodium carbonate (1.0 g, 10 mmol) and hydroxylamine hydrochloride (1.0 g, 19 mmol) inmethanol/H2O was added benzonitrile (2 mL, 19 mmol). The mixture was heated to 70 °C for 1 h. Thecooled reaction mixture was concentrated, and the residue was taken up in dichloromethane. Theorganic layer was washed with water and concentrated to give (Z)-N'-hydroxybenzamidine (1.85 g,70% yield), which was used without further purification.CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.21. Single Step75%OverviewSteps/Stages Notes1.1 R:H2NOH-HCl, R:Disodium carbonate, S:MeOH Reactants: 1, Reagents: 2, Solvents: 1, Steps:1, Stages: 1, Most stages in any one step: 1ReferencesN-Aryl N'-Hydroxyguanidines, A New Class ofNO-Donors after Selective Oxidation by NitricOxide Synthases: Structure-ActivityRelationshipBy Renodon-Corniere, Axelle et alFrom Journal of Medicinal Chemistry, 45(4),944-954; 2002Experimental ProcedureBenzamidoximes 30-32 were prepared by refluxing anhydrous methanolic solutions of hydroxylaminehydrochloride with the corresponding nitrile in the presence of sodium carbonate as previouslydescribed.57Benzamidoxime (30). Compound 30 was obtained as a white solid in 75% yield frombenzonitrile mp 76 °C (literature: 76 °C).57CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.22. Single Step70%OverviewSteps/Stages Notes1.1 R:KOH, R:H2NOH-HCl, S:MeOH, 3-6 h, 6°C in-situ generated reagent, Reactants: 1,Reagents: 2, Solvents: 1, Steps: 1, Stages: 1,Most stages in any one step: 1ReferencesHCV NS5b RNA-Dependent RNAPolymerase Inhibitors: From α,γ-Diketoacidsto 4,5-Dihydroxypyrimidine- or 3-Methyl-5-hydroxypyrimidinonecarboxylic Acids. Designand SynthesisBy Summa, Vincenzo et alFrom Journal of Medicinal Chemistry, 47(22),5336-5339; 2004Experimental ProcedureN'-hydroxybenzenecarboximidamide (12), 3-(benzyloxy)-N'-hydroxybenzenecarboximidamide (13), N'-hydroxy-3-[(4-methoxybenzyl)oxy]benzenecarboximidamide were prepared from the correspondingnitriles by use of known procedures. Generally, one equiv of potassium hydroxide dissolved inmethanol was added to a solution of hydroxylamine hydrochloride (1 equiv) in methanol. Theprecipitated potassium chloride was removed by filtration and to the above solution the appropriate arylnitrile was added. Reaction mixture was stirred at 60°C for the appropriate time (3-6 h, TLCmonitoring). After cooling, the solvent was removed under vacuum, and the residue was triturated withdiethyl ether. The precipitate was collected and eventually recristallyzed from an appropriate solvent,furnishing the desired amidoxime in 60-70 % yield. N'-hydroxybenzenecarboximidamide (12): spectraldata matches literature data.3CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.23. Single Step65%OverviewSteps/Stages Notes1.1 R:K2CO3, R:H2NOH-HCl, S:EtOH, 1 h, rt; 6 h, reflux Reactants: 1, Reagents: 2, Solvents: 1, Steps:1, Stages: 1, Most stages in any one step: 1ReferencesAcetic acid aldose reductase inhibitorsbearing a five-membered heterocyclic corewith potent topical activity in a visualimpairment rat modelBy La Motta, Concettina et alFrom Journal of Medicinal Chemistry, 51(11),3182-3193; 2008Experimental ProcedureGeneral Procedure for the Synthesis of N-Hydroxybenzimidamides3a-i and N-Hydroxy-2-phenylacetimidamides 4a-i. A solution of the appropriate nitrile 1a-i or 2a-i (1.00 mmol), hydroxylaminehydrochloride (1.35 mmol), and potassium carbonate (1.00 mmol) in ethanol was left under stirring atroom temperature for 1 h, then heated under reflux until the disappearance of the starting materials (6h, TLC analysis). After cooling, the resulting mixture was filtered and the solvent was evaporated todryness under reduced pressure to give the target compound as a white solid, which was purified byrecrystallization (Supporting Information, Tables 1 and 2).CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.24. Single Step60%OverviewSteps/Stages Notes1.1 R:Et3N, R:H2NOH-HCl, S:EtOH, rt → reflux; 24 h, reflux Reactants: 1, Reagents: 2, Solvents: 1, Steps:1, Stages: 1, Most stages in any one step: 1ReferencesSynthesis and cannabinoid activity of 1-substituted-indole-3-oxadiazole derivatives:Novel agonists for the CB1 receptorBy Moloney, Gerard P. et alFrom European Journal of MedicinalChemistry, 43(3), 513-539; 2008 CASREACT ®: Copyright © 2012 American Chemical Society. All Rights Reserved. CASREACT contains reactions from CAS and from: ZIC/VINITI database (1974-1999) provided by InfoChem; INPI data prior to 1986; Biotransformations database compiled under the direction of Professor Dr. Klaus Kieslich; organic reactions, portions copyright 1996-2006 John Wiley & Sons, Ltd., John Wiley and Sons, Inc., Organic Reactions Inc., and Organic Syntheses Inc. Reproduced under license. All Rights Reserved.25. Single Step60%Overview。

3GPP TS 36.331 V13.2.0 (2016-06)Technical Specification3rd Generation Partnership Project;Technical Specification Group Radio Access Network;Evolved Universal Terrestrial Radio Access (E-UTRA);Radio Resource Control (RRC);Protocol specification(Release 13)The present document has been developed within the 3rd Generation Partnership Project (3GPP TM) and may be further elaborated for the purposes of 3GPP. The present document has not been subject to any approval process by the 3GPP Organizational Partners and shall not be implemented.This Specification is provided for future development work within 3GPP only. The Organizational Partners accept no liability for any use of this Specification. Specifications and reports for implementation of the 3GPP TM system should be obtained via the 3GPP Organizational Partners' Publications Offices.KeywordsUMTS, radio3GPPPostal address3GPP support office address650 Route des Lucioles - Sophia AntipolisValbonne - FRANCETel.: +33 4 92 94 42 00 Fax: +33 4 93 65 47 16InternetCopyright NotificationNo part may be reproduced except as authorized by written permission.The copyright and the foregoing restriction extend to reproduction in all media.© 2016, 3GPP Organizational Partners (ARIB, ATIS, CCSA, ETSI, TSDSI, TTA, TTC).All rights reserved.UMTS™ is a Trade Mark of ETSI registered for the benefit of its members3GPP™ is a Trade Mark of ETSI registered for the benefit of its Members and of the 3GPP Organizational PartnersLTE™ is a Trade Mark of ETSI currently being registered for the benefit of its Members and of the 3GPP Organizational Partners GSM® and the GSM logo are registered and owned by the GSM AssociationBluetooth® is a Trade Mark of the Bluetooth SIG registered for the benefit of its membersContentsForeword (18)1Scope (19)2References (19)3Definitions, symbols and abbreviations (22)3.1Definitions (22)3.2Abbreviations (24)4General (27)4.1Introduction (27)4.2Architecture (28)4.2.1UE states and state transitions including inter RAT (28)4.2.2Signalling radio bearers (29)4.3Services (30)4.3.1Services provided to upper layers (30)4.3.2Services expected from lower layers (30)4.4Functions (30)5Procedures (32)5.1General (32)5.1.1Introduction (32)5.1.2General requirements (32)5.2System information (33)5.2.1Introduction (33)5.2.1.1General (33)5.2.1.2Scheduling (34)5.2.1.2a Scheduling for NB-IoT (34)5.2.1.3System information validity and notification of changes (35)5.2.1.4Indication of ETWS notification (36)5.2.1.5Indication of CMAS notification (37)5.2.1.6Notification of EAB parameters change (37)5.2.1.7Access Barring parameters change in NB-IoT (37)5.2.2System information acquisition (38)5.2.2.1General (38)5.2.2.2Initiation (38)5.2.2.3System information required by the UE (38)5.2.2.4System information acquisition by the UE (39)5.2.2.5Essential system information missing (42)5.2.2.6Actions upon reception of the MasterInformationBlock message (42)5.2.2.7Actions upon reception of the SystemInformationBlockType1 message (42)5.2.2.8Actions upon reception of SystemInformation messages (44)5.2.2.9Actions upon reception of SystemInformationBlockType2 (44)5.2.2.10Actions upon reception of SystemInformationBlockType3 (45)5.2.2.11Actions upon reception of SystemInformationBlockType4 (45)5.2.2.12Actions upon reception of SystemInformationBlockType5 (45)5.2.2.13Actions upon reception of SystemInformationBlockType6 (45)5.2.2.14Actions upon reception of SystemInformationBlockType7 (45)5.2.2.15Actions upon reception of SystemInformationBlockType8 (45)5.2.2.16Actions upon reception of SystemInformationBlockType9 (46)5.2.2.17Actions upon reception of SystemInformationBlockType10 (46)5.2.2.18Actions upon reception of SystemInformationBlockType11 (46)5.2.2.19Actions upon reception of SystemInformationBlockType12 (47)5.2.2.20Actions upon reception of SystemInformationBlockType13 (48)5.2.2.21Actions upon reception of SystemInformationBlockType14 (48)5.2.2.22Actions upon reception of SystemInformationBlockType15 (48)5.2.2.23Actions upon reception of SystemInformationBlockType16 (48)5.2.2.24Actions upon reception of SystemInformationBlockType17 (48)5.2.2.25Actions upon reception of SystemInformationBlockType18 (48)5.2.2.26Actions upon reception of SystemInformationBlockType19 (49)5.2.3Acquisition of an SI message (49)5.2.3a Acquisition of an SI message by BL UE or UE in CE or a NB-IoT UE (50)5.3Connection control (50)5.3.1Introduction (50)5.3.1.1RRC connection control (50)5.3.1.2Security (52)5.3.1.2a RN security (53)5.3.1.3Connected mode mobility (53)5.3.1.4Connection control in NB-IoT (54)5.3.2Paging (55)5.3.2.1General (55)5.3.2.2Initiation (55)5.3.2.3Reception of the Paging message by the UE (55)5.3.3RRC connection establishment (56)5.3.3.1General (56)5.3.3.1a Conditions for establishing RRC Connection for sidelink communication/ discovery (58)5.3.3.2Initiation (59)5.3.3.3Actions related to transmission of RRCConnectionRequest message (63)5.3.3.3a Actions related to transmission of RRCConnectionResumeRequest message (64)5.3.3.4Reception of the RRCConnectionSetup by the UE (64)5.3.3.4a Reception of the RRCConnectionResume by the UE (66)5.3.3.5Cell re-selection while T300, T302, T303, T305, T306, or T308 is running (68)5.3.3.6T300 expiry (68)5.3.3.7T302, T303, T305, T306, or T308 expiry or stop (69)5.3.3.8Reception of the RRCConnectionReject by the UE (70)5.3.3.9Abortion of RRC connection establishment (71)5.3.3.10Handling of SSAC related parameters (71)5.3.3.11Access barring check (72)5.3.3.12EAB check (73)5.3.3.13Access barring check for ACDC (73)5.3.3.14Access Barring check for NB-IoT (74)5.3.4Initial security activation (75)5.3.4.1General (75)5.3.4.2Initiation (76)5.3.4.3Reception of the SecurityModeCommand by the UE (76)5.3.5RRC connection reconfiguration (77)5.3.5.1General (77)5.3.5.2Initiation (77)5.3.5.3Reception of an RRCConnectionReconfiguration not including the mobilityControlInfo by theUE (77)5.3.5.4Reception of an RRCConnectionReconfiguration including the mobilityControlInfo by the UE(handover) (79)5.3.5.5Reconfiguration failure (83)5.3.5.6T304 expiry (handover failure) (83)5.3.5.7Void (84)5.3.5.7a T307 expiry (SCG change failure) (84)5.3.5.8Radio Configuration involving full configuration option (84)5.3.6Counter check (86)5.3.6.1General (86)5.3.6.2Initiation (86)5.3.6.3Reception of the CounterCheck message by the UE (86)5.3.7RRC connection re-establishment (87)5.3.7.1General (87)5.3.7.2Initiation (87)5.3.7.3Actions following cell selection while T311 is running (88)5.3.7.4Actions related to transmission of RRCConnectionReestablishmentRequest message (89)5.3.7.5Reception of the RRCConnectionReestablishment by the UE (89)5.3.7.6T311 expiry (91)5.3.7.7T301 expiry or selected cell no longer suitable (91)5.3.7.8Reception of RRCConnectionReestablishmentReject by the UE (91)5.3.8RRC connection release (92)5.3.8.1General (92)5.3.8.2Initiation (92)5.3.8.3Reception of the RRCConnectionRelease by the UE (92)5.3.8.4T320 expiry (93)5.3.9RRC connection release requested by upper layers (93)5.3.9.1General (93)5.3.9.2Initiation (93)5.3.10Radio resource configuration (93)5.3.10.0General (93)5.3.10.1SRB addition/ modification (94)5.3.10.2DRB release (95)5.3.10.3DRB addition/ modification (95)5.3.10.3a1DC specific DRB addition or reconfiguration (96)5.3.10.3a2LWA specific DRB addition or reconfiguration (98)5.3.10.3a3LWIP specific DRB addition or reconfiguration (98)5.3.10.3a SCell release (99)5.3.10.3b SCell addition/ modification (99)5.3.10.3c PSCell addition or modification (99)5.3.10.4MAC main reconfiguration (99)5.3.10.5Semi-persistent scheduling reconfiguration (100)5.3.10.6Physical channel reconfiguration (100)5.3.10.7Radio Link Failure Timers and Constants reconfiguration (101)5.3.10.8Time domain measurement resource restriction for serving cell (101)5.3.10.9Other configuration (102)5.3.10.10SCG reconfiguration (103)5.3.10.11SCG dedicated resource configuration (104)5.3.10.12Reconfiguration SCG or split DRB by drb-ToAddModList (105)5.3.10.13Neighbour cell information reconfiguration (105)5.3.10.14Void (105)5.3.10.15Sidelink dedicated configuration (105)5.3.10.16T370 expiry (106)5.3.11Radio link failure related actions (107)5.3.11.1Detection of physical layer problems in RRC_CONNECTED (107)5.3.11.2Recovery of physical layer problems (107)5.3.11.3Detection of radio link failure (107)5.3.12UE actions upon leaving RRC_CONNECTED (109)5.3.13UE actions upon PUCCH/ SRS release request (110)5.3.14Proximity indication (110)5.3.14.1General (110)5.3.14.2Initiation (111)5.3.14.3Actions related to transmission of ProximityIndication message (111)5.3.15Void (111)5.4Inter-RAT mobility (111)5.4.1Introduction (111)5.4.2Handover to E-UTRA (112)5.4.2.1General (112)5.4.2.2Initiation (112)5.4.2.3Reception of the RRCConnectionReconfiguration by the UE (112)5.4.2.4Reconfiguration failure (114)5.4.2.5T304 expiry (handover to E-UTRA failure) (114)5.4.3Mobility from E-UTRA (114)5.4.3.1General (114)5.4.3.2Initiation (115)5.4.3.3Reception of the MobilityFromEUTRACommand by the UE (115)5.4.3.4Successful completion of the mobility from E-UTRA (116)5.4.3.5Mobility from E-UTRA failure (117)5.4.4Handover from E-UTRA preparation request (CDMA2000) (117)5.4.4.1General (117)5.4.4.2Initiation (118)5.4.4.3Reception of the HandoverFromEUTRAPreparationRequest by the UE (118)5.4.5UL handover preparation transfer (CDMA2000) (118)5.4.5.1General (118)5.4.5.2Initiation (118)5.4.5.3Actions related to transmission of the ULHandoverPreparationTransfer message (119)5.4.5.4Failure to deliver the ULHandoverPreparationTransfer message (119)5.4.6Inter-RAT cell change order to E-UTRAN (119)5.4.6.1General (119)5.4.6.2Initiation (119)5.4.6.3UE fails to complete an inter-RAT cell change order (119)5.5Measurements (120)5.5.1Introduction (120)5.5.2Measurement configuration (121)5.5.2.1General (121)5.5.2.2Measurement identity removal (122)5.5.2.2a Measurement identity autonomous removal (122)5.5.2.3Measurement identity addition/ modification (123)5.5.2.4Measurement object removal (124)5.5.2.5Measurement object addition/ modification (124)5.5.2.6Reporting configuration removal (126)5.5.2.7Reporting configuration addition/ modification (127)5.5.2.8Quantity configuration (127)5.5.2.9Measurement gap configuration (127)5.5.2.10Discovery signals measurement timing configuration (128)5.5.2.11RSSI measurement timing configuration (128)5.5.3Performing measurements (128)5.5.3.1General (128)5.5.3.2Layer 3 filtering (131)5.5.4Measurement report triggering (131)5.5.4.1General (131)5.5.4.2Event A1 (Serving becomes better than threshold) (135)5.5.4.3Event A2 (Serving becomes worse than threshold) (136)5.5.4.4Event A3 (Neighbour becomes offset better than PCell/ PSCell) (136)5.5.4.5Event A4 (Neighbour becomes better than threshold) (137)5.5.4.6Event A5 (PCell/ PSCell becomes worse than threshold1 and neighbour becomes better thanthreshold2) (138)5.5.4.6a Event A6 (Neighbour becomes offset better than SCell) (139)5.5.4.7Event B1 (Inter RAT neighbour becomes better than threshold) (139)5.5.4.8Event B2 (PCell becomes worse than threshold1 and inter RAT neighbour becomes better thanthreshold2) (140)5.5.4.9Event C1 (CSI-RS resource becomes better than threshold) (141)5.5.4.10Event C2 (CSI-RS resource becomes offset better than reference CSI-RS resource) (141)5.5.4.11Event W1 (WLAN becomes better than a threshold) (142)5.5.4.12Event W2 (All WLAN inside WLAN mobility set becomes worse than threshold1 and a WLANoutside WLAN mobility set becomes better than threshold2) (142)5.5.4.13Event W3 (All WLAN inside WLAN mobility set becomes worse than a threshold) (143)5.5.5Measurement reporting (144)5.5.6Measurement related actions (148)5.5.6.1Actions upon handover and re-establishment (148)5.5.6.2Speed dependant scaling of measurement related parameters (149)5.5.7Inter-frequency RSTD measurement indication (149)5.5.7.1General (149)5.5.7.2Initiation (150)5.5.7.3Actions related to transmission of InterFreqRSTDMeasurementIndication message (150)5.6Other (150)5.6.0General (150)5.6.1DL information transfer (151)5.6.1.1General (151)5.6.1.2Initiation (151)5.6.1.3Reception of the DLInformationTransfer by the UE (151)5.6.2UL information transfer (151)5.6.2.1General (151)5.6.2.2Initiation (151)5.6.2.3Actions related to transmission of ULInformationTransfer message (152)5.6.2.4Failure to deliver ULInformationTransfer message (152)5.6.3UE capability transfer (152)5.6.3.1General (152)5.6.3.2Initiation (153)5.6.3.3Reception of the UECapabilityEnquiry by the UE (153)5.6.4CSFB to 1x Parameter transfer (157)5.6.4.1General (157)5.6.4.2Initiation (157)5.6.4.3Actions related to transmission of CSFBParametersRequestCDMA2000 message (157)5.6.4.4Reception of the CSFBParametersResponseCDMA2000 message (157)5.6.5UE Information (158)5.6.5.1General (158)5.6.5.2Initiation (158)5.6.5.3Reception of the UEInformationRequest message (158)5.6.6 Logged Measurement Configuration (159)5.6.6.1General (159)5.6.6.2Initiation (160)5.6.6.3Reception of the LoggedMeasurementConfiguration by the UE (160)5.6.6.4T330 expiry (160)5.6.7 Release of Logged Measurement Configuration (160)5.6.7.1General (160)5.6.7.2Initiation (160)5.6.8 Measurements logging (161)5.6.8.1General (161)5.6.8.2Initiation (161)5.6.9In-device coexistence indication (163)5.6.9.1General (163)5.6.9.2Initiation (164)5.6.9.3Actions related to transmission of InDeviceCoexIndication message (164)5.6.10UE Assistance Information (165)5.6.10.1General (165)5.6.10.2Initiation (166)5.6.10.3Actions related to transmission of UEAssistanceInformation message (166)5.6.11 Mobility history information (166)5.6.11.1General (166)5.6.11.2Initiation (166)5.6.12RAN-assisted WLAN interworking (167)5.6.12.1General (167)5.6.12.2Dedicated WLAN offload configuration (167)5.6.12.3WLAN offload RAN evaluation (167)5.6.12.4T350 expiry or stop (167)5.6.12.5Cell selection/ re-selection while T350 is running (168)5.6.13SCG failure information (168)5.6.13.1General (168)5.6.13.2Initiation (168)5.6.13.3Actions related to transmission of SCGFailureInformation message (168)5.6.14LTE-WLAN Aggregation (169)5.6.14.1Introduction (169)5.6.14.2Reception of LWA configuration (169)5.6.14.3Release of LWA configuration (170)5.6.15WLAN connection management (170)5.6.15.1Introduction (170)5.6.15.2WLAN connection status reporting (170)5.6.15.2.1General (170)5.6.15.2.2Initiation (171)5.6.15.2.3Actions related to transmission of WLANConnectionStatusReport message (171)5.6.15.3T351 Expiry (WLAN connection attempt timeout) (171)5.6.15.4WLAN status monitoring (171)5.6.16RAN controlled LTE-WLAN interworking (172)5.6.16.1General (172)5.6.16.2WLAN traffic steering command (172)5.6.17LTE-WLAN aggregation with IPsec tunnel (173)5.6.17.1General (173)5.7Generic error handling (174)5.7.1General (174)5.7.2ASN.1 violation or encoding error (174)5.7.3Field set to a not comprehended value (174)5.7.4Mandatory field missing (174)5.7.5Not comprehended field (176)5.8MBMS (176)5.8.1Introduction (176)5.8.1.1General (176)5.8.1.2Scheduling (176)5.8.1.3MCCH information validity and notification of changes (176)5.8.2MCCH information acquisition (178)5.8.2.1General (178)5.8.2.2Initiation (178)5.8.2.3MCCH information acquisition by the UE (178)5.8.2.4Actions upon reception of the MBSFNAreaConfiguration message (178)5.8.2.5Actions upon reception of the MBMSCountingRequest message (179)5.8.3MBMS PTM radio bearer configuration (179)5.8.3.1General (179)5.8.3.2Initiation (179)5.8.3.3MRB establishment (179)5.8.3.4MRB release (179)5.8.4MBMS Counting Procedure (179)5.8.4.1General (179)5.8.4.2Initiation (180)5.8.4.3Reception of the MBMSCountingRequest message by the UE (180)5.8.5MBMS interest indication (181)5.8.5.1General (181)5.8.5.2Initiation (181)5.8.5.3Determine MBMS frequencies of interest (182)5.8.5.4Actions related to transmission of MBMSInterestIndication message (183)5.8a SC-PTM (183)5.8a.1Introduction (183)5.8a.1.1General (183)5.8a.1.2SC-MCCH scheduling (183)5.8a.1.3SC-MCCH information validity and notification of changes (183)5.8a.1.4Procedures (184)5.8a.2SC-MCCH information acquisition (184)5.8a.2.1General (184)5.8a.2.2Initiation (184)5.8a.2.3SC-MCCH information acquisition by the UE (184)5.8a.2.4Actions upon reception of the SCPTMConfiguration message (185)5.8a.3SC-PTM radio bearer configuration (185)5.8a.3.1General (185)5.8a.3.2Initiation (185)5.8a.3.3SC-MRB establishment (185)5.8a.3.4SC-MRB release (185)5.9RN procedures (186)5.9.1RN reconfiguration (186)5.9.1.1General (186)5.9.1.2Initiation (186)5.9.1.3Reception of the RNReconfiguration by the RN (186)5.10Sidelink (186)5.10.1Introduction (186)5.10.1a Conditions for sidelink communication operation (187)5.10.2Sidelink UE information (188)5.10.2.1General (188)5.10.2.2Initiation (189)5.10.2.3Actions related to transmission of SidelinkUEInformation message (193)5.10.3Sidelink communication monitoring (195)5.10.6Sidelink discovery announcement (198)5.10.6a Sidelink discovery announcement pool selection (201)5.10.6b Sidelink discovery announcement reference carrier selection (201)5.10.7Sidelink synchronisation information transmission (202)5.10.7.1General (202)5.10.7.2Initiation (203)5.10.7.3Transmission of SLSS (204)5.10.7.4Transmission of MasterInformationBlock-SL message (205)5.10.7.5Void (206)5.10.8Sidelink synchronisation reference (206)5.10.8.1General (206)5.10.8.2Selection and reselection of synchronisation reference UE (SyncRef UE) (206)5.10.9Sidelink common control information (207)5.10.9.1General (207)5.10.9.2Actions related to reception of MasterInformationBlock-SL message (207)5.10.10Sidelink relay UE operation (207)5.10.10.1General (207)5.10.10.2AS-conditions for relay related sidelink communication transmission by sidelink relay UE (207)5.10.10.3AS-conditions for relay PS related sidelink discovery transmission by sidelink relay UE (208)5.10.10.4Sidelink relay UE threshold conditions (208)5.10.11Sidelink remote UE operation (208)5.10.11.1General (208)5.10.11.2AS-conditions for relay related sidelink communication transmission by sidelink remote UE (208)5.10.11.3AS-conditions for relay PS related sidelink discovery transmission by sidelink remote UE (209)5.10.11.4Selection and reselection of sidelink relay UE (209)5.10.11.5Sidelink remote UE threshold conditions (210)6Protocol data units, formats and parameters (tabular & ASN.1) (210)6.1General (210)6.2RRC messages (212)6.2.1General message structure (212)–EUTRA-RRC-Definitions (212)–BCCH-BCH-Message (212)–BCCH-DL-SCH-Message (212)–BCCH-DL-SCH-Message-BR (213)–MCCH-Message (213)–PCCH-Message (213)–DL-CCCH-Message (214)–DL-DCCH-Message (214)–UL-CCCH-Message (214)–UL-DCCH-Message (215)–SC-MCCH-Message (215)6.2.2Message definitions (216)–CounterCheck (216)–CounterCheckResponse (217)–CSFBParametersRequestCDMA2000 (217)–CSFBParametersResponseCDMA2000 (218)–DLInformationTransfer (218)–HandoverFromEUTRAPreparationRequest (CDMA2000) (219)–InDeviceCoexIndication (220)–InterFreqRSTDMeasurementIndication (222)–LoggedMeasurementConfiguration (223)–MasterInformationBlock (225)–MBMSCountingRequest (226)–MBMSCountingResponse (226)–MBMSInterestIndication (227)–MBSFNAreaConfiguration (228)–MeasurementReport (228)–MobilityFromEUTRACommand (229)–Paging (232)–ProximityIndication (233)–RNReconfiguration (234)–RNReconfigurationComplete (234)–RRCConnectionReconfiguration (235)–RRCConnectionReconfigurationComplete (240)–RRCConnectionReestablishment (241)–RRCConnectionReestablishmentComplete (241)–RRCConnectionReestablishmentReject (242)–RRCConnectionReestablishmentRequest (243)–RRCConnectionReject (243)–RRCConnectionRelease (244)–RRCConnectionResume (248)–RRCConnectionResumeComplete (249)–RRCConnectionResumeRequest (250)–RRCConnectionRequest (250)–RRCConnectionSetup (251)–RRCConnectionSetupComplete (252)–SCGFailureInformation (253)–SCPTMConfiguration (254)–SecurityModeCommand (255)–SecurityModeComplete (255)–SecurityModeFailure (256)–SidelinkUEInformation (256)–SystemInformation (258)–SystemInformationBlockType1 (259)–UEAssistanceInformation (264)–UECapabilityEnquiry (265)–UECapabilityInformation (266)–UEInformationRequest (267)–UEInformationResponse (267)–ULHandoverPreparationTransfer (CDMA2000) (273)–ULInformationTransfer (274)–WLANConnectionStatusReport (274)6.3RRC information elements (275)6.3.1System information blocks (275)–SystemInformationBlockType2 (275)–SystemInformationBlockType3 (279)–SystemInformationBlockType4 (282)–SystemInformationBlockType5 (283)–SystemInformationBlockType6 (287)–SystemInformationBlockType7 (289)–SystemInformationBlockType8 (290)–SystemInformationBlockType9 (295)–SystemInformationBlockType10 (295)–SystemInformationBlockType11 (296)–SystemInformationBlockType12 (297)–SystemInformationBlockType13 (297)–SystemInformationBlockType14 (298)–SystemInformationBlockType15 (298)–SystemInformationBlockType16 (299)–SystemInformationBlockType17 (300)–SystemInformationBlockType18 (301)–SystemInformationBlockType19 (301)–SystemInformationBlockType20 (304)6.3.2Radio resource control information elements (304)–AntennaInfo (304)–AntennaInfoUL (306)–CQI-ReportConfig (307)–CQI-ReportPeriodicProcExtId (314)–CrossCarrierSchedulingConfig (314)–CSI-IM-Config (315)–CSI-IM-ConfigId (315)–CSI-RS-Config (317)–CSI-RS-ConfigEMIMO (318)–CSI-RS-ConfigNZP (319)–CSI-RS-ConfigNZPId (320)–CSI-RS-ConfigZP (321)–CSI-RS-ConfigZPId (321)–DMRS-Config (321)–DRB-Identity (322)–EPDCCH-Config (322)–EIMTA-MainConfig (324)–LogicalChannelConfig (325)–LWA-Configuration (326)–LWIP-Configuration (326)–RCLWI-Configuration (327)–MAC-MainConfig (327)–P-C-AndCBSR (332)–PDCCH-ConfigSCell (333)–PDCP-Config (334)–PDSCH-Config (337)–PDSCH-RE-MappingQCL-ConfigId (339)–PHICH-Config (339)–PhysicalConfigDedicated (339)–P-Max (344)–PRACH-Config (344)–PresenceAntennaPort1 (346)–PUCCH-Config (347)–PUSCH-Config (351)–RACH-ConfigCommon (355)–RACH-ConfigDedicated (357)–RadioResourceConfigCommon (358)–RadioResourceConfigDedicated (362)–RLC-Config (367)–RLF-TimersAndConstants (369)–RN-SubframeConfig (370)–SchedulingRequestConfig (371)–SoundingRS-UL-Config (372)–SPS-Config (375)–TDD-Config (376)–TimeAlignmentTimer (377)–TPC-PDCCH-Config (377)–TunnelConfigLWIP (378)–UplinkPowerControl (379)–WLAN-Id-List (382)–WLAN-MobilityConfig (382)6.3.3Security control information elements (382)–NextHopChainingCount (382)–SecurityAlgorithmConfig (383)–ShortMAC-I (383)6.3.4Mobility control information elements (383)–AdditionalSpectrumEmission (383)–ARFCN-ValueCDMA2000 (383)–ARFCN-ValueEUTRA (384)–ARFCN-ValueGERAN (384)–ARFCN-ValueUTRA (384)–BandclassCDMA2000 (384)–BandIndicatorGERAN (385)–CarrierFreqCDMA2000 (385)–CarrierFreqGERAN (385)–CellIndexList (387)–CellReselectionPriority (387)–CellSelectionInfoCE (387)–CellReselectionSubPriority (388)–CSFB-RegistrationParam1XRTT (388)–CellGlobalIdEUTRA (389)–CellGlobalIdUTRA (389)–CellGlobalIdGERAN (390)–CellGlobalIdCDMA2000 (390)–CellSelectionInfoNFreq (391)–CSG-Identity (391)–FreqBandIndicator (391)–MobilityControlInfo (391)–MobilityParametersCDMA2000 (1xRTT) (393)–MobilityStateParameters (394)–MultiBandInfoList (394)–NS-PmaxList (394)–PhysCellId (395)–PhysCellIdRange (395)–PhysCellIdRangeUTRA-FDDList (395)–PhysCellIdCDMA2000 (396)–PhysCellIdGERAN (396)–PhysCellIdUTRA-FDD (396)–PhysCellIdUTRA-TDD (396)–PLMN-Identity (397)–PLMN-IdentityList3 (397)–PreRegistrationInfoHRPD (397)–Q-QualMin (398)–Q-RxLevMin (398)–Q-OffsetRange (398)–Q-OffsetRangeInterRAT (399)–ReselectionThreshold (399)–ReselectionThresholdQ (399)–SCellIndex (399)–ServCellIndex (400)–SpeedStateScaleFactors (400)–SystemInfoListGERAN (400)–SystemTimeInfoCDMA2000 (401)–TrackingAreaCode (401)–T-Reselection (402)–T-ReselectionEUTRA-CE (402)6.3.5Measurement information elements (402)–AllowedMeasBandwidth (402)–CSI-RSRP-Range (402)–Hysteresis (402)–LocationInfo (403)–MBSFN-RSRQ-Range (403)–MeasConfig (404)–MeasDS-Config (405)–MeasGapConfig (406)–MeasId (407)–MeasIdToAddModList (407)–MeasObjectCDMA2000 (408)–MeasObjectEUTRA (408)–MeasObjectGERAN (412)–MeasObjectId (412)–MeasObjectToAddModList (412)–MeasObjectUTRA (413)–ReportConfigEUTRA (422)–ReportConfigId (425)–ReportConfigInterRAT (425)–ReportConfigToAddModList (428)–ReportInterval (429)–RSRP-Range (429)–RSRQ-Range (430)–RSRQ-Type (430)–RS-SINR-Range (430)–RSSI-Range-r13 (431)–TimeToTrigger (431)–UL-DelayConfig (431)–WLAN-CarrierInfo (431)–WLAN-RSSI-Range (432)–WLAN-Status (432)6.3.6Other information elements (433)–AbsoluteTimeInfo (433)–AreaConfiguration (433)–C-RNTI (433)–DedicatedInfoCDMA2000 (434)–DedicatedInfoNAS (434)–FilterCoefficient (434)–LoggingDuration (434)–LoggingInterval (435)–MeasSubframePattern (435)–MMEC (435)–NeighCellConfig (435)–OtherConfig (436)–RAND-CDMA2000 (1xRTT) (437)–RAT-Type (437)–ResumeIdentity (437)–RRC-TransactionIdentifier (438)–S-TMSI (438)–TraceReference (438)–UE-CapabilityRAT-ContainerList (438)–UE-EUTRA-Capability (439)–UE-RadioPagingInfo (469)–UE-TimersAndConstants (469)–VisitedCellInfoList (470)–WLAN-OffloadConfig (470)6.3.7MBMS information elements (472)–MBMS-NotificationConfig (472)–MBMS-ServiceList (473)–MBSFN-AreaId (473)–MBSFN-AreaInfoList (473)–MBSFN-SubframeConfig (474)–PMCH-InfoList (475)6.3.7a SC-PTM information elements (476)–SC-MTCH-InfoList (476)–SCPTM-NeighbourCellList (478)6.3.8Sidelink information elements (478)–SL-CommConfig (478)–SL-CommResourcePool (479)–SL-CP-Len (480)–SL-DiscConfig (481)–SL-DiscResourcePool (483)–SL-DiscTxPowerInfo (485)–SL-GapConfig (485)。

临界反应英语Critical ReactionIn chemistry, a critical reaction is a term used to describe a reaction that occurs only under specific conditions. These conditions may include temperature, pressure, concentrations of reactants, or the presence of catalysts. The critical reaction is the point at which the reaction rate changes significantly due to a change in one of these critical factors. Understanding critical reactions is essential for predicting and controlling chemical processes.One common example of a critical reaction is the decomposition of hydrogen peroxide. This reaction occurs slowly at room temperature, but when a catalyst, such as manganese dioxide, is added, the reaction speeds up dramatically. The critical factor in this reaction is the presence of the catalyst, which lowers the activation energy required for the reaction to occur. Without the catalyst, the reaction may not occur at all or may proceed at an extremely slow rate.Another example of a critical reaction is the oxidation of iron. Under normal conditions, iron does not react with oxygen in the air. However, if the iron is heated to high temperatures, a criticalreaction occurs, leading to the formation of iron oxide, also known as rust. The critical factor in this reaction is the temperature, as it determines the energy required for the reaction to take place.Understanding critical reactions is crucial in various industries, such as pharmaceuticals, petrochemicals, and materials science. By controlling the critical factors in a reaction, chemists can optimize reaction conditions to maximize the efficiency of a process, reduce waste, and improve product quality. Additionally, studying critical reactions can lead to the development of new catalysts and processes that can revolutionize the way chemicals are produced and used in various applications.In conclusion, critical reactions play a vital role in chemistry by determining the conditions under which a reaction occurs. By understanding and controlling critical factors, chemists can manipulate reactions to achieve desired outcomes and improve the efficiency of chemical processes. As technology advances, the study of critical reactions will continue to be essential in developing new materials, drugs, and technologies that shape our world.。

提出过程强化的方法英文回答：Process Intensification Methods.Process intensification (PI) refers to the application of strategies to enhance the efficiency and effectiveness of chemical processes, often by reducing equipment size, energy consumption, and waste generation. Here are some common PI methods:1. Reactive Distillation:Reactive distillation combines chemical reaction and distillation in a single unit, enabling simultaneous product formation and separation. This eliminates the need for separate reactors and distillation columns, reducing costs and improving selectivity.2. Supercritical Fluid Extraction:Supercritical fluid extraction (SFE) utilizes a fluid above its critical temperature and pressure to extract components from a mixture. SFE offers advantages such as high extraction rates, low solvent consumption, and reduced environmental impact.3. Membrane Separations:Membrane separations employ semi-permeable membranes to separate components based on their size, charge, or solubility. Membrane processes include reverse osmosis, nanofiltration, ultrafiltration, and gas separation, offering high selectivity and energy efficiency.4. Crystallization from Melt:Crystallization from melt (CFM) involves cooling a molten material to induce crystallization directly from the melt phase. CFM eliminates the need for solvent addition and reduces energy consumption compared to conventional crystallization methods.5. Microwave Heating:Microwave heating utilizes electromagnetic radiation to rapidly heat materials. This method provides uniform heating, reduces reaction times, and enhances reaction yields.6. High-Gravity Technology:High-gravity technology employs centrifugal force to enhance mass transfer and reaction rates. This technologyis particularly beneficial for processes involving liquid-liquid or gas-liquid systems.7. Ultrasound-Assisted Processes:Ultrasound-assisted processes utilize high-frequency sound waves to promote mixing, cavitation, and mass transfer. These processes can improve reaction rates, enhance extraction efficiency, and reduce energy consumption.8. Microreactors:Microreactors are miniaturized reaction vessels that provide high surface-to-volume ratios and precise temperature control. Microreactors enable rapid reactions, enhance selectivity, and reduce reagent consumption.9. Ionic Liquids:Ionic liquids (ILs) are non-volatile, liquid salts with unique properties such as low vapor pressure, high thermal stability, and adjustable polarity. ILs can be used as solvents, catalysts, or reaction media to improve process efficiency and reduce environmental impact.中文回答：过程强化方法。

chemical-reaction-engineeri ng-3ed-edition作者-octave-Levenspiel-课后习题答案Corresponding Solutions for Chemical Reaction EngineeringCHAPTER 1 OVERVIEW OF CHEMICAL REACTION ENGINEERING (1)CHAPTER 2 KINETICS OF HOMOGENEOUS REACTIONS (3)CHAPTER 3 INTERPRETATION OF BATCH REACTOR DATA (7)CHAPTER 4 INTRODUCTION TO REACTOR DESIGN (20)CHAPTER 5 IDEAL REACTOR FOR A SINGLE REACTOR (23)CHAPTER 6 DESIGN FOR SINGLE REACTIONS (27)CHAPTER 10 CHOOSING THE RIGHT KIND OF REACTOR (34)CHAPTER 11 BASICS OF NON-IDEAL FLOW (36)CHAPTER 18 SOLID CATALYZED REACTIONS (45)Chapter 1 Overview of Chemical Reaction Engineering1.1 Municipal waste water treatment plant. Consider a municipal water treatment plant for a small community (Fig.P1.1). Waste water, 32000 m 3/day, flows through the treatment plant with a mean residence time of 8 hr, air is bubbled through the tanks, and microbes in the tank attack and break down the organic material (organic waste) +O 2 −−−→−microbes CO 2 + H 2OA typical entering feed has a BOD (biological oxygen demand) of 200 mg O 2/liter, while the effluent has a megligible BOD. Find the rate of reaction, or decrease in BOD in the treatment tanks.Figure P1.1Solution:)/(1017.2)/(75.183132/100010001)0200()(313200031320001343333s m mol day m mol day molgm L mg g L mg day day m dayday m VdtdN r A A ⋅⨯=⋅=-⨯⨯⨯-⨯-=-=--1.2 Coal burning electrical power station. Large central power stations (about 1000 MW electrical) using fluiding bed combustors may be built some day (see Fig.P1.2). These giants would be fed 240 tons of coal/hr (90% C, 10%H 2), 50% of which would burn within the battery of primary fluidized beds, the other 50% elsewhere in the system. One suggested design would use a battery of 10 fluidized beds, each 20 m long, 4 m wide, and containing solids to a depth of 1 m. Find the rate of reaction within theWaste Waste Clean200 mgMean residenZerobeds, based on the oxygen used.Solution:380010)1420(m V =⨯⨯⨯=)/(9000101089.05.01024033hr bed molc hrkgckgcoal kgc hr coal t N c ⋅-=⨯-=⨯⨯⨯-=∆∆ )/(25.111900080011322hr m kmolO t N V r r c c O ⋅=-⨯-=∆∆-=-=)/(12000412000190002hr bed mol dt dO ⋅=+⨯= )/(17.4800)/(105.113422s m mol hr bed mol dt dO V r O ⋅=⋅⨯==-Chapter 2 Kinetics of Homogeneous Reactions2.1 A reaction has the stoichiometric equation A + B =2R . What is the order of reaction?Solution: Because we don’t know whether it is an elementary reaction or not, we can’t tell the index of the reaction.2.2 Given the reaction 2NO 2 + 1/2 O 2 = N 2O 5 , what is the relation between the ratesof formation and disappearance of the three reaction components? Solution: 522224O N O NO r r r =-=-2.3 A reaction with stoichiometric equation 0.5 A + B = R +0.5 S has the following rateexpression-r A = 2 C 0.5 A C BWhat is the rate expression for this reaction if the stoichiometric equation is written asA + 2B = 2R + SSolution: No change. The stoichiometric equation can’t effect the rate equation, so it doesn’t change.2.4 For the enzyme-substrate reaction of Example 2, the rate of disappearance ofsubstrate is given by-r A =A06]][[1760C E A + , mol/m 3·sWhat are the units of the two constants? Solution: ][]6[]][][[][03A A C E A k s m mol r +=⋅=- 3/][]6[m mol C A ==∴sm mol m mol m mol s m mol k 1)/)(/(/][3333=⋅⋅=2.5 For the complex reaction with stoichiometry A + 3B → 2R + S and withsecond-order rate expression-r A = k 1[A][B]are the reaction rates related as follows: r A = r B = r R ? If the rates are not so related, then how are they related? Please account for the sings , + or - .Solution: R B A r r r 2131=-=-2.6 A certain reaction has a rate given by-r A = 0.005 C 2 A , mol/cm 3·min If the concentration is to be expressed in mol/liter and time in hours, what wouldbe the value and units of the rate constant?Solution:min)()(3'⋅⨯-=⋅⨯-cm molr hr L mol r A A 22443'300005.0106610)(minAA A A A C C r r cm mol mol hr L r =⨯⨯=⋅⨯=-⋅⋅⋅=-∴ AA A A A C C cmmol mol L C cmmolC L mol C 33'3'10)()(=⋅⋅=∴⨯=⨯2'42'32'103)10(300300)(AA A A C C C r --⨯=⨯==-∴ 4'103-⨯=∴k2.7 For a gas reaction at 400 K the rate is reported as -dtdp A= 3.66 p 2 A , atm/hr (a) What are the units of the rate constant?(b) What is the value of the rate constant for this reaction if the rate equation isexpressed as-r A = - dtdN V A1 = k C2 A , mol/m 3·s Solution:(a) The unit of the rate constant is ]/1[hr atm ⋅ (b) dtdN V r AA 1-=-Because it’s a gas reaction occuring at the fined terperatuse, so V=constant, and T=constant, so the equation can be reduced to22)(66.366.3)(1RT C RTP RT dt dP RT dt dP VRT V r A A A A A ==-=-=-22)66.3(A A kC C RT ==So we can get that the value of1.12040008205.066.366.3=⨯⨯==RT k2.9 The pyrolysis of ethane proceeds with an activation energy of about 300 kJ/mol.How much faster the decomposition at 650℃ than at 500℃?Solution:586.7)92311731()10/(314.8/300)11(3211212=-⋅⋅=-==KK K mol kJ mol kJ T T R E k k Ln r r Ln7.197012=∴r r2.11 In the mid-nineteenth century the entomologist Henri Fabre noted that French ants (garden variety) busily bustled about their business on hot days but were rather sluggish on cool days. Checking his results with Oregon ants, I findRunning speed, m/hr150160230295370Temperatu re, ℃13 16 22 24 28 What activation energy represents this change in bustliness? Solution:RTE RTE RTE ek eak t cons ion concentrat f let ion concentrat f ek r ---=⋅⋅=⋅='00tan )()(RET Lnk Lnr A 1'-=∴ Suppose Tx Lnr y A 1,==, so ,REslope -= intercept 'Lnk =)/(1-⋅h m r A 150 160 230 295 370 A Lnr-3.1780 -3.1135 -2.7506 -2.5017 -2.2752CT o / 13 16 22 24 28 3101-⨯T3.4947 3.4584 3.3881 3.3653 3.3206-y = 5417.9x - 15.686R2 = 0.9712340.00330.003350.00340.003450.00351/T-L n r-y = -5147.9 x + 15.686Also K REslope 9.5147-=-=, intercept 'Lnk == 15.686 , mol kJ K mol J K E /80.42)/(3145.89.5147=⋅⨯-=Chapter 3 Interpretation of Batch Reactor Data3.1 If -r A = - (dC A /dt) =0.2 mol/liter·sec when C A = 1 mol/liter, what is the rate ofreaction when C A = 10 mol/liter? Note: the order of reaction is not known.Solution: Information is not enough, so we can’t answer this kind of question.3.2 Liquid a sedomposes by first-order kinetics, and in a batch reactor 50% of A isconverted in a 5-minute run. How much longer would it take to reach 75% conversion?Solution: Because the decomposition of A is a 1st -order reaction, so we can express the rate equation as:A A kC r =-We know that for 1st -order reaction, kt C C LnAAo=, 11kt C C LnA Ao =, 22kt C CLn A Ao = Ao A C C 5.01=, Ao A C C 25.02=So 21)24(1)(11212Ln kLn Ln k C C Ln C C Ln k t t A Ao A Ao =-=-=- equ(1) min 521)(111===Ln kC C Ln k t A Ao equ(2) So m in 5112==-t t t3.3 Repeat the previous problem for second-order kinetics. Solution: We know that for 2nd -order reaction, kt C C A A =-011, So we have two equations as follow:min 511211101k kt C C C C C AoAo Ao A A ===-=-, equ(1)2123)1(31411kt kt C C C C C AoAo Ao Ao A ===-=-, equ(2) So m in 15312==t t , m in 1012=-t t3.4 A 10-minute experimental run shows that 75% of liquid reactant is converted to product by a 21-order rate. What would be the fraction converted in a half-hour run?Solution: In a-21order reaction: 5.0AA A kC dt dC r =-=-, After integration, we can get:5.015.02A Ao C C kt -=, So we have two equations as follow:min)10(5.0)41(15.05.05.05.015.0k kt C C C C C Ao Ao AoA Ao ===-=-, equ(1) min)30(25.025.0k kt C C A Ao ==-, equ(2)Combining these two equations, we can get:25.05.1kt C Ao =, but this means 05.02<A C , whichis impossible, so we can conclude that less than half hours, all the reactant is consumed up. So the fraction converted 1=A X .3.5 In a hmogeneous isothermal liquid polymerization, 20% of the monomer disappears in 34 minutes for initial monomer concentration of 0.04 and also for 0.8 mol/liter. What rate equation represents the disappearance of the monomer?Solution: The rate of reactant is independent of the initial concentration of monomers, so we know the order of reaction is first-order,monomer monomer kC r =-And k C C Lnoomin)34(8.0= 1min 00657.0-=kmonomer monomer C r )min 00657.0(1-=-3.6 After 8 minutes in a batch reactor, reactant (C A0 = 1 mol/liter) is 80% converted; after 18 minutes, conversion is 90%. Find a rate equation to represent this reaction. Solution:In 1st order reaction, 43.1511111111212==--=Ln Ln X Lnk X Ln k t t A A , dissatisfied.In 2nd order reaction, 49/4/912.0111.01)11(1)11(11212==--=--=Ao Ao Ao Ao Ao Ao Ao A Ao A C C C C C C C C k C C k t t, satisfied.According to the information, the reaction is a 2nd -order reaction.3.7 nake-Eyes Magoo is a man of habit. For instance, his Friday evenings are all alike —into the joint with his week’s salary of ＄180, steady gambling at “2-up” for two hours, then home to his family leaving ＄45 behind. Snake Eyes’s betting pattern is predictable. He always bets in amounts proportional to his cash at hand, and his losses are also predictable —at a rate proportional to his cash at hand. This week Snake-Eyes received a raise in salary, so he played for three hours, but as usual went home with ＄135. How much was his raise? Solution:180=Ao n , 13=A n , h t 2=,135'=A n , h t 3;=, A A kn r α-So we obtain kt n n LnAAo=, ''')()(tn n Ln t n n Ln AAo A Ao= 3135213180'Ao n Ln Ln =, 28'=An3.9 The first-order reversible liquid reactionA ↔ R , C A0 = 0.5 mol/liter, C R0=0takes place in a batch reactor. After 8 minutes, conversion of A is 33.3% while equilibrium conversion is 66.7%. Find the equation for the this reaction. Solution: Liquid reaction, which belongs to constant volume system,1st order reversible reaction, according to page56 eq. 53b, we obtain121112102110)(1)(-+-+=+-==⎰⎰AX A A tX k k k k Lnk k X k k k dX dt t Amin 8sec 480==t , 33.0=A X , so we obtain eq(1)33.0)(1min8sec 480211121k k k k Ln k k +-+= eq(1) Ae AeAe c X X M C C k k K -+===1Re 21, 0==AoRo C C M , so we obtain eq(2) 232132121=-=-==AeAe c X X k k K ,212k k =∴ eq(2)Combining eq(1) and eq(2), we obtain1412sec 108.4m in 02888.0---⨯==k 14121sec 1063.9m in 05776.02---⨯===k kSo the rate equation is )(21A Ao A AA C C k C k dtdC r --=-=- )(sec 1063.9sec 108.401414A A A C C C -⨯-⨯=----3.10 Aqueous A reacts to form R (A→R) and in the first minute in a batch reactor itsconcentration drops from C A0 = 2.03 mol/liter to C Af = 1.97 mol/liter. Find the rate equation from the reaction if the kinetics are second-order with respect to A.Solution: It’s a irreversible second -order reaction system, according to page44 eq 12, we obtainmin 103.2197.111⋅=-k , so min015.01⋅=mol Lkso the rate equation is 21)min 015.0(A A C r -=-3.15 At room temperature sucrose is hydrolyzed by the catalytic action of the enzymesucrase as follows:Aucrose −−→−sucraseproductsStarting with a sucrose concentration C A0 = 1.0 millimol/liter and an enzyme concentrationC E0= 0.01 millimol/liter, the following kinetic data are obtained in a batch reactor (concentrations calculated from optical rotation measurements):Determine whether these data can be reasonably fitted by a knietic equation of the Michaelis-Menten type, or-r A =MA E A C C C C k +03 where C M = Michaelis constantIf the fit is reasonable, evaluate the constants k 3 and C M . Solve by the integral method.Solution: Solve the question by the integral method:AA M A A Eo A A C k Ck C C C C k dt dC r 5431+=+=-=-, M Eo C C k k 34=, MC k 15= AAo A Ao A Ao C C C C Lnk k k C C t -⋅+=-4451hrt ,AC ,mmol /L A Ao AAo C C C C Ln-AAo C C t -1 0.84 1.0897 6.25 20.681.20526.25C A , millimol /liter0.84 0.68 0.53 0.38 0.27 0.16 0.09 0.04 0.018 0.006 0.0025t,hr 1 2 3 4 5 6 7 8 9 10 113 0.53 1.3508 6.38304 0.38 1.5606 6.45165 0.27 1.7936 6.8493 6 0.16 2.1816 7.14287 0.09 2.6461 7.69238 0.04 3.3530 8.33339 0.018 4.0910 9.1650 10 0.006 5.1469 10.0604 110.00256.006511.0276Suppose y=A Ao C C t-, x=AAo A Ao C C C C Ln-, thus we obtain such straight line graphy = 0.9879x + 5.0497R 2 = 0.99802468101201234567Ln(Cao/Ca)/(Cao-Ca)t /(C a o -C a )9879.0134===Eo M C k C k Slope , intercept=0497.545=k k So )/(1956.00497.59879.015L mmol k C M ===, 14380.1901.09879.01956.0-=⨯==hr C C k k Eo M3.18 Enzyme E catalyzes the transformation of reactant A to product R as follows: A −−→−enzyme R, -r A =min22000⋅+liter molC C C A E AIf we introduce enzyme (C E0 = 0.001 mol/liter) and reactant (C A0 = 10mol/liter) into a batch rector and let the reaction proceed, find the time needed for the concentration of reactant to drop to 0.025 mol/liter. Note that the concentration of enzyme remains unchanged during the reaction.. Solution:510001.020021+=⨯+=-=-AA A A A C C C dC dt r Rearranging and integrating, we obtain:10025.0025.0100)(510)510(⎥⎦⎤⎢⎣⎡-+=+-==⎰⎰A Ao A Ao A A tC C C C Ln dC C dt t min 79.109)(5025.01010=-+=A Ao C C Ln3.20 M.Hellin and J.C. Jungers, Bull. soc. chim. France, 386(1957), present the data in Table P3.20 on thereaction of sulfuric acid with diethylsulfate in a aqueous solution at22.9℃:H 2SO 4 + (C 2H 5)2SO 4 → 2C 2H 5SO 4HInitial concentrations of H 2SO 4 and (C 2H 5)2SO 4 are each 5.5 mol/liter. Find a rate equation for this reaction.Table P3.20 t, minC 2H 5SO 4H , mol/li ter t, minC 2H 5SO 4H , mol/li ter1804.1141 1.18 194 4.31 48 1.38 212 4.45 55 1.63 267 4.86 75 2.24 318 5.15 96 2.75 368 5.32 127 3.31 379 5.35 146 3.76 410 5.42 1623.81∞(5.80)Solution: It’s a constant -volume system, so we can use X A solving the problem: i) We postulate it is a 2nd order reversible reaction system R B A 2⇔+ The rate equation is: 221R B A A A C k C C k dtdC r -=-=- L mol C C Bo Ao /5.5==, )1(A Ao A X C C -=, A A Ao Bo B C X C C C =-=, A Ao R X C C 2=When ∞=t , L mol X C C Ae Ao /8.52Re == So 5273.05.528.5=⨯=Ae X , L mol X C C C Ae Ao Be Ae /6.2)5273.01(5.5)1(=-⨯=-== After integrating, we obtaint C X k X X X X X LnAo AeA Ae A Ae Ae )11(2)12(1-=--- eq (1)The calculating result is presented in following Table.t,mi nLmol C R /,Lmol C A /,AXAAe AAe Ae X X X X X Ln---)12()1(AeAX X Ln -0 0 5.5 0 0 041 1.18 4.91 0.10730.2163 -0.227548 1.38 4.81 0.12540.2587 -0.271755 1.63 4.685 0.14820.3145 -0.329975 2.24 4.38 0.20360.4668 -0.488196 2.75 4.125 0.25 0.6165 -0.642712 7 3.31 3.8450.30090.8140 -0.845614 6 3.76 3.620.34181.0089 -1.044916 2 3.81 3.5950.34641.0332 -1.069718 0 4.11 3.4450.37361.1937 -1.233119 4 4.31 3.3450.39181.3177 -1.359121 2 4.45 3.2750.40451.4150 -1.4578267 4.86 3.07 0.4418 1.7730 -1.8197 318 5.15 2.925 0.4682 2.1390 -2.1886 368 5.32 2.84 0.4836 2.4405 -2.4918 379 5.35 2.825 0.4864 2.5047 -2.5564 4105.42 2.79 0.4927 2.6731 -2.7254 ∞5.82.60.5273——Draw AAe AAe Ae X X X X X Ln---)12(~ t plot, we obtain a straight line:y = 0.0067x - 0.0276R 2= 0.998800.511.522.530100200300400500tL n0067.0)11(21=-=Ao AeC X k Slope ,min)/(10794.65.5)15273.01(20067.041⋅⨯=⨯-=∴-mol L kWhen approach to equilibrium, BeAe c C C C k k K 2Re 21==, so min)/(10364.18.56.210794.642242Re 12⋅⨯=⨯⨯==--mol L C C C k k Be Ae So the rate equation ism in)/()10364.110794.6(244⋅⨯-⨯=---L mol C C C r R B A Aii) We postulate it is a 1st order reversible reaction system, so the rate equation isR A AA C k C k dtdC r 21-=-=- After rearranging and integrating, we obtaint k X X X Ln AeAe A '11)1(=-eq (2) Draw )1(AeAX X Ln -~ t plot, we obtain another straight line: -y = 0.0068x - 0.0156R 2 = 0.998600.511.522.530100200300400500x-L n0068.0'1-==AeX k Slope ,So 13'1m in 10586.35273.00068.0--⨯-=⨯-=k133Re '1'2min 10607.18.56.210586.3---⨯-=⨯⨯-==C C k k AeSo the rate equation ism in)/()10607.110586.3(33⋅⨯+⨯-=---L mol C C r R A AWe find that this reaction corresponds to both a 1st and 2nd order reversible reaction system, by comparing eq.(1) and eq.(2), especially when X Ae =0.5 , the two equations are identical. This means these two equations would have almost the same fitness of data when the experiment data of the reaction show that X Ae =0.5.(The data that we use just have X Ae =0.5273 approached to 0.5, so it causes to this.)3.24 In the presence of a homogeneous catalyst of given concentration, aqueous reactant A is converted to product at the following rates, and C A alone determines this rate:C A ,mol/liter1 2 4 6 7 9 12-r A , mol/liter·hr0.06 0.1 0.25 1.0 2.0 1.0 0.5We plan to run this reaction in a batch reactor at the same catelyst concentration as used in getting the above data. Find the time needed to lower the concentration of A from C A0 = 10 mol/liter to C Af = 2 mol/liter.Solution: By using graphical integration method, we obtain that the shaped area is 50 hr.04812162002 4 68 10 12 14Ca-1/Ra3.31 The thermal decomposition of hydrogen iodide 2HI → H 2 + I 2is reported by M.Bodenstein [Z.phys.chem.,29,295(1899)] as follows:T,℃ 508427 393 356 283k,cm 3/mol·s0.10590.003100.00058880.9×10-60.942×10-6Find the complete rate equation for this reaction. Use units of joules, moles, cm 3,and seconds.According to Arrhenius’ Law,k = k 0e -E/R Ttransform it,- In(k) = E/R·(1/T) －In(k 0)Drawing the figure of the relationship between k and T as follows:y = 7319.1x - 11.567R 2= 0.987904812160.0010.0020.0030.0041/T-L n (k )From the figure, we getslope = E/R = 7319.1 intercept = - In(k 0) = -11.567E = 60851 J/mol k 0 = 105556 cm 3/mol·sFrom the unit [k] we obtain the thermal decomposition is second-order reaction, so the rate expression is- r A = 105556e -60851/R T ·C A 2Chapter 4 Introduction to Reactor Design4.1 Given a gaseous feed, C A0 = 100, C B0 = 200, A +B→ R + S, X A = 0.8. Find X B ,C A ,C B . Solution: Given a gaseous feed, 100=Ao C , 200=Bo C , S R B A +→+0=A X , find B X , A C , B C0==B A εε, 202.0100)1(=⨯=-=A Ao A X C C4.02008.01001=⨯⨯==Bo A Ao B C X bC X 1206.0200)1(=⨯=-=B Bo B X C C4.2 Given a dilute aqueous feed, C A0 = C B0 =100, A +2B→ R + S, C A = 20. Find X A , X B , C B .Solution: Given a dilute aqueous feed, 100==Bo Ao C C ,S R B A +→+2, 20=A C , find A X , B X , B CAqueous reaction system, so 0==B A εε When 0=A X , 200=V When 1=A X , 100=VSo 21-=A ε, 41-==Ao Bo A B bC C εε8.01002011=-=-=Ao A A C C X , 16.11008.010012>=⨯⨯=⋅=Bo A Ao B C X C a b X , which is impossible. So 1=B X , 100==Bo B C C4.3 Given a gaseous feed, C A0 =200, C B0 =100, A +B→ R, C A = 50. Find X A , X B , C B . Solution: Given a gaseous feed, 200=Ao C , 100=Bo C ,R B A →+, 50=A C .find A X , B X , B C75.02005011=-=-=Ao A A C C X , 15.1>==BoAAo B C X bC X , which is impossible. So 100==Bo B C C4.4 Given a gaseous feed, C A0 = C B0 =100, A +2B→ R, C B = 20. Find X A , X B , C A . Solution: Given a gaseous feed, 100=+Bo Ao C C ，R B A →+2, 20=Bo C , Find A X , B X , A C0=B X , 200100100=+=B A V ,1=B X 15010050=+=R A V25.0200200150-=-=B ε, 5.01002110025.0-=⨯⨯-=-A ε842.02025.010020100=⨯--=B X , 421.0100842.010021=⨯⨯=A X34.73421.05.01421.0110011=⨯--⨯=+-=A A A AoA X X C C ε4.6 Given a gaseous feed, T 0 =1000 K, π0＝5atm, C A0=100, C B0=200, A +B→5R,T =400K, π=4atm, C A =20. Find X A , X B , C B .Solution: Given a gaseous feed, K T o 1000=, atm 50=π, 100=Ao C , 200=Bo CR B A 5→+, K T 400=, atm 4=π, 20=A C , find A X , B X , B C .1300300600=-=A ε, 2==Ao Bo AB bC C a εε,5.0410********=⨯⨯=ππT T According to eq page 87,818.05.010020115.0100201110000=⨯⨯+⨯-=+-=ππεππT T C C T T C C X Ao A AAo A A409.0200818.0100=⨯==Bo A Ao B aC X bC X130818.011200)818.0100200(1)(0=⨯+⨯-=+-=A A Ao A Ao Bo B X C T T X a b C C C εππ4.7 A Commercial Popcorn Popping Popcorn Popper. We are constructing a 1-literpopcorn to be operatedin steady flow. First tests in this unit show that 1 liter/min of raw corn feed stream produces 28 liter/minof mixed exit stream. Independent tests show that when raw corn pops its volumegoes from 1 to 31.With this information determine what fraction of raw corn is popped in the unit.Solution: 301131=-=A ε, ..1u a C Ao =, ..281281u a C C Ao A ==%5.462813012811=⨯+-=+-=∴AA Ao A Ao A C C C C X εChapter 5 Ideal Reactor for a single Reactor5.1 Consider a gas-phase reaction 2A → R + 2S with unknown kinetics. If a spacevelocity of 1/min is needed for 90% conversion of A in a plug flow reactor, find the corresponding space-time and mean residence time or holding time of fluid in the plug flow reactor.Solution: min 11==sτ,Varying volume system, so t can’t be found.5.2 In an isothermal batch reactor 70% of a liquid reactant is converted in 13 min.What space-time and space-velocity are needed to effect this conversion in a plug flow reactor and in a mixed flow reactor? Solution: Liquid reaction system, so 0=A ε According to eq.4 on page 92, min 130=-=⎰AX AAAo r dC C t Eq.13, AAAo A A Ao R F M r X C r C C -=--=..τ, R F M ..τ can’t be cert ain. Eq.17, ⎰-=AX AAAo R F P r dX C 0..τ, so m in 13...==R B R F P t τ5.4 We plan to replace our present mixed flow reactor with one having double thebolume. For the same aqueous feed (10 mol A/liter) and the same feed rate find the new conversion. The reaction are represented byA → R, -r A = kC 1.5 ASolution: Liquid reaction system, so 0=A εA A Ao Ao r X C F V -==τ, 5.1)]1([)(A Ao A A Ao A Ao X C k X r C C C -=-- Now we know: V V 2=', Ao Ao F F =', Ao Ao C C =', 7.0=A X So we obtain5.15.15.15.1)1()2)1(2A Ao A A Ao A Ao Ao X kC X X kC X F VF V -='-'==''52.8)7.01(7.02)1(5.15.1=-⨯='-'∴A AX X794.0='A X5.5 An aqueous feed of A and B (400liter/min, 100 mmol A/liter, 200 mmol B/liter) isto be converted to product in a plug flow reactor. The kinetics of the reaction is represented byA +B→ R, -r A = 200C A C Bmin⋅liter molFind the volume of reactor needed for 99.9% conversion of A to product.Solution: Aqueous reaction system, so 0=A εAccording to page 102 eq.19,⎰⎰-=-==Af AfX AA X A A AoAo Ao r dX r dC C C t F V 001⎰-==AfX AAAo or dX C Vντ, m in /400liter o =ν, L r dX r dX C V AAX A A o Ao Af3.1244001.0999.000=-⨯=-=∴⎰⎰ν5.9 A specific enzyme acts as catalyst in the fermentation of reactant A. At a givenenzyme concentration in the aqueous feed stream (25 liter/min) find the volume of plug flow reactor needed for 95% conversion of reactant A (C A0 =2 mol/liter ). The kinetics of the fermentation at this enzyme concentration is given byA −−→−enzymeR , -r A = litermolC C A A ⋅+min 5.011.0Solution: P.F.R, according to page 102 eq.18, aqueous reaction, 0=ε⎰-=A X AA Ao r dX F V 0 )11(21251.05.010A AX A A A Ao X X Ln dX C C F V A+-⨯=+=∴⎰\L Ln4.986)95.005.01(125=+=5.11 Enzyme E catalyses the fermentation of substrate A (the reactant) to product R.Find the size of mixed flow reactor needed for 95% conversion of reactant in a feed stream (25 liter/min ) of reactant (2 mol/liter) and enzyme. The kinetics of the fermentation at this enzyme concentration are given byA −−→−enzyme R , -r A =litermolC C A A ⋅+min 5.011.0Solution: min /25L o =ν, L mol C Ao /2=, m in /50mol F Ao =, 95.0=A X Constant volume system, M.F.R., so we obtainmin 5.199205.05.01205.01.095.02=⨯⨯+⨯⨯⨯=-==AAAo or X C Vντ,39875.4min /25min 5.199m L V o =⨯==τν5.14 A stream of pure gaseous reactant A (C A0 = 660 mmol/liter) enters a plug flowreactor at a flow rate of F A0 = 540 mmol/min and polymerizes the as follows3A → R, -r A = 54min⋅liter mmolHow large a reactor is needed to lower the concentration of A in the exitstream to C Af = 330 mmol/liter?Solution: 321131-=-=A ε, 75.0660330321660330111=⨯--=+-=Ao A A Ao A A C C C C X ε 0-order homogeneous reaction, according to page 103 eq.20A Ao AoAooX C F VC kVkk ===ντ So we obtainL X k C C F V A Ao Ao Ao 5.75475.05401=⨯==5.16 Gaseous reactant A decomposes as follows:A → 3 R, -r A = (0.6min -1)C AFind the conversion of A in a 50% A – 50% inert feed (υ0 = 180 liter/min, C A0 =300 mmol/liter) to a 1 m 3 mixed flow reactor.Solution: 31m V =, M.F.R. 1224=-=A εAccording to page 91 eq.11, AAAoAAo AAAo oX X C X C r X C V+-=-==116.0ντmin/1801000)1(6.0)1(L LX X X A A A =-+=So we obtain 667.0=A XChapter 6 Design for Single Reactions6.1 A liquid reactant stream (1 mol/liter) passes through two mixed flow reactors in aseries. The concentration of A in the exit of the first reactor is 0.5 mol/liter. Find the concentration in the exit stream of the second reactor. The reaction is second-order with respect to A and V 2/V 1 =2.Solution:V 2/V 1 = 2, τ1 =011υV =A A A r C C --10 , 2τ = 022υV = 221A A A r C C --C A0=1mol/l , C A1=0.5mol/l , 0201υυ=, -r A1=kC 2 A1 ,-r A2=kC 2 A2 (2nd-order) , 2×2110A A A kC C C -=2221A A A kC C C - So we obtain 2×(1-0.5)/(k0.52)=(0.5-C A2)/(kC A22)C A2= 0.25 mol/l6.2 Water containing a short-lived radioactive species flows continuously through awell-mixed holdup tank. This gives time for the radioactive material to decay into harmless waste. As it now operates, the activity of the exit stream is 1/7 of the feed stream. This is not bad, but we’d like to lower it still more.One of our office secretaries suggests that we insert a baffle down the middle ofthe tank so that the holdup tank acts as two well-mixed tanks in series. Do you think this would help? If not, tell why; if so calculate the expected activity of the exit stream compared to the entering stream.Solution: 1st-order reaction, constant volume system. From the information offeredabout the first reaction,we obtain1τ=01100117171A A A A A A C k C C kC C C V ⋅-=-=υ If a baffle is added,022220212122212υυτττV V +=+==011υV =2222221210A A A A A A kC C C kC C C -+-=007176A A kC C =6/k …… ①。

ICH Q1B 中文版稳定性试验：新原料药和制剂的光稳定性试验通则新原料药和新药制剂的ICH稳定性试验指导原则（以下称总指导原则）指出光照试验是强力破坏试验中的重要组成部分。

本文是总指导原则的附加说明，提出了光稳定性试验的一些建议。

序言新原料药和新药制剂应经过适当的光稳定特征考察，证明其本身的光稳定性，即光照不能引起不可接受的变化。

按照总指导原则中“批号选择”，光稳定性试验只须选做一批样品。

在某些情况下如当这个产品发生变更或变化时（如处方、包装），这些研究应再重复进行。

这些研究是否必须重复进行取决于起始文件中所测定的该物质的光稳定特征及变更或变化的类型。

本指导原则主要阐述注册申报新化合物及其制剂时所需报送的光稳定性试验资料，不包括已发放的药物（如在使用中的）的光稳定性试验和总指导原则中未包括其用法的药物的申报内容。

如果有科学合理的其他替代方法也可采用。

光稳定性试验研究包括：I对原料药试验；II对除去内包装的制剂试验（如需要）；III对除去外包装的制剂试验（如需要）；IV上市包装的制剂试验。

按判断图指示进行药物光稳定性试验，可根据到哪一步发生了可以接受的变化来决定试验到哪一步即可停止，“可接受的变化”是指经申报者论证合理的限度内的变化。

光敏性药物和制剂是否要在标签上标记要求，由国家!地区来定。

B光源以下所述的光源可用于光稳定性试验。

申报者可控制合适的温度以减少局部温度变化效应，也可在相同环境中作一暗度控制（避光对照）（除另有规定外）。

对方法1和2，药物生产者!申报者可根据光源的光谱分布来选择。

方法1采用任何输出相似于D65/ID65(发射标准的光源，如具有可见紫外输出的人造日光荧光灯、氙灯或金属卤化物灯。

D65(是国际上认可的室外日光标准［ISO10977(1993)］。

ID65相当于室内间接日光际准。

若光源发射光低于320nm，应滤光除去。

方法2对于选择方法2，相同样品应同时暴露在日光灯和近紫外灯下。

中间体的吸附、偶联等反应英文回答：The adsorption and coupling reactions of intermediates play crucial roles in various chemical processes. These reactions are often involved in the formation of new chemical bonds and the transformation of reactants into products. Understanding the mechanisms and kinetics of these reactions is essential for designing efficient catalytic systems and optimizing reaction conditions.Adsorption is the process by which molecules or atoms bind to the surface of a solid or liquid. It can occur through various interactions, such as van der Waals forces, hydrogen bonding, or covalent bonding. The adsorption of intermediates onto a catalyst surface is often the first step in a catalytic reaction. It provides a platform for further reactions to take place and influences the overall reaction rate.Coupling reactions involve the formation of new chemical bonds between two or more reactant molecules. These reactions are commonly used in organic synthesis to construct complex molecules. In many cases, the intermediates formed during the reaction play a crucialrole in the coupling process. They can undergo various transformations, such as oxidative addition, reductive elimination, or nucleophilic attack, to form the desired products.The study of adsorption and coupling reactions of intermediates is often carried out using various experimental techniques, such as surface science methods, spectroscopy, and kinetic measurements. These techniques provide valuable information about the nature of the intermediates, their binding sites on the catalyst surface, and their reactivity. Computational methods, such as density functional theory (DFT) calculations, are also widely used to investigate the reaction mechanisms and energetics of these processes.Understanding the factors that influence the adsorptionand coupling reactions of intermediates is crucial for catalyst design and optimization. The nature of thecatalyst surface, including its composition, morphology, and crystal structure, can significantly affect the adsorption and reactivity of intermediates. The presence of co-adsorbates or additives can also influence these reactions by modifying the electronic properties of the catalyst surface or providing additional reaction pathways.In conclusion, the adsorption and coupling reactions of intermediates are important processes in various chemical reactions. Studying these reactions can provide valuable insights into the mechanisms and kinetics of catalytic processes. By understanding the factors that influence these reactions, researchers can design more efficient catalysts and optimize reaction conditions for various applications.中文回答：中间体的吸附和偶联反应在各种化学过程中起着关键作用。

晶体模拟退火英语Crystal Simulated Annealing in EnglishSimulated annealing is a computational technique for finding an approximation to the global minimum (or maximum) of a given function. The method is based on the process of annealing in metallurgy, where a material is heated and then slowly cooled to decrease the defects in its structure. In the context of optimization, the "temperature" is a parameter that controls the probability of accepting a new solutionthat is worse than the current one.In the field of crystallography, simulated annealing is used to predict the structure of crystals from diffraction data. The process involves the following steps:1. Initialization: Start with a random configuration of atoms in the crystal lattice.2. Heating: Raise the "temperature" to a high value, which allows for large changes in the atomic positions. This step is crucial because it allows the system to escape from local minima.3. Cooling Schedule: Gradually decrease the "temperature" over time. As the temperature drops, the system becomes more likely to settle into lower-energy configurations.4. Energy Evaluation: At each step, calculate the energy of the system based on the current atomic positions. This energy function is a mathematical representation of the stability of the crystal structure.5. Acceptance Criterion: Decide whether to accept a new configuration based on the Metropolis criterion, which compares the energy of the new state with the current state and the current "temperature".6. Convergence: Continue the process until the system reaches a state of minimum energy, indicating that a stable crystal structure has been found.Simulated annealing is particularly useful in crystal structure prediction because it can navigate the complex energy landscapes typical of crystalline materials. It allows for the exploration of a vast number of possible configurations, increasing the chances of finding the true global minimum, which corresponds to the most stable and accurate crystal structure.The technique has been successfully applied to a wide range of materials, from simple inorganic crystals to complex organic compounds and proteins. It remains a powerful tool in the arsenal of computational chemists and materials scientists, contributing to the advancement of our understanding and design of new materials.。