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SupportingInformation
AMultiagent-DrivenRoboticAIChemistEnablingAutonomousChemicalResearchOnDemand
TaoSong1,2,?,ManLuo1,?,XiaolongZhang1,?,LinjiangChen1,3,?,*,YanHuang1,JiaqiCao1,QingZhu1,4,DaobinLiu1,BaichengZhang1,GangZou1,GuoqingZhang1,FeiZhang2,*,Weiwei
Shang2,*,YaoFu1,5,*,JunJiang1,6,*,&YiLuo1,6,*
1StateKeyLaboratoryofPrecisionandIntelligentChemistry,HefeiNationalResearchCenterforPhysicalSciencesattheMicroscale,SchoolofChemistryandMaterialsScience,Universityof
ScienceandTechnologyofChina,Hefei230026,China
2SchoolofInformationScienceandTechnology,UniversityofScienceandTechnologyofChina,Hefei230026,China
3SchoolofChemistryandSchoolofComputerScience,UniversityofBirmingham,BirminghamB152TT,U.K.
4InstituteofIntelligentInnovation,HenanAcademyofSciences,Zhengzhou451162,China
5CASKeyLaboratoryofUrbanPollutantConversion,AnhuiProvinceKeyLaboratoryofBiomassChemistry,UniversityofScienceandTechnologyofChina,Hefei230026,China
6HefeiNationalLaboratory,UniversityofScienceandTechnologyofChina,Hefei230026,China
?Theseauthorscontributedequally:T.S.,M.L.,X.Z.,L.C.
*Correspondingauthors.E-mails:linjiangchen@(L.C.);zfei@(F.Z.);wwshang@(W.S.);fuyao@(Y.F.);jiangj1@(J.J.);
yiluo@(Y.L.)
TableofContents
TheAutomatedLab 3
Detailsoftask1:CharacterizingazobenzenemoleculesbyFT-IRspectroscopy 4
Detailsoftask2:SynthesizingmetaloxidesandcharacterizingbyPXRD 5
Detailsoftask3:Synthesizingperovskitequantumdots(PQDs)andcharacterizingby
fluorescencespectroscopy 7
Detailsoftask4:Synthesizinggraphiticcarbonnitrides(g-C3N4)andmeasuring
photocatalytichydrogenproductionbygaschromatography 8
Detailsoftask5:Synthesizingbismuthoxyhalides(BiOX)andmeasuring
photocatalyticdegradationoftetracyclinebyUV-visspectroscopy 9
Detailsoftask6:Synthesizingmetal-organichigh-entropycatalysts(MO-HECs)and
discoveringtheoptimalcomponentsforoxygenevolutionreaction(OER) 10
ExpertrulesfortheProtocolcriticagent 15
ExpertrulesfortheCodecriticagent 15
AblationexperimentsforexpertruleswithinCodecritic 16
Detaileddefinitionsfor20experimentalstations 19
RobotsandstationsoftheAutomatedLab 20
Thehigh-levelAPIfunctionsforrobots 32
AdetailedexampleofChemAgentsinactionfortask6 34
Systemoverview:capabilities,integration,andchallenges 37
Furthertechnicaldetailsoftheroboticsystem 38
Furthertechnicaldiscussionsonthechoice,deployment,andperformanceofLLMs40
Perceptionandmeasurementoftherobots 45
DeployingChemAgentsinaroboticorganicchemistrylab 50
Automatedprotocolsettingforexperimentalinstruments 53
Automateddataprocessingformachinelearning 55
TheAutomatedLab
FigureS1.TheAutomatedLab.(a)Depictionofthetwoexperiment-conductingrobots:afullymobilerobotandabenchtoproboticarm.(b)Examplesofkeyroboticoperationsalongtheautonomousworkflowforsamplesynthesisandelectrochemicaltesting.
Detailsoftask1:CharacterizingazobenzenemoleculesbyFT-IRspectroscopy
FigureS2.TheworkflowofChemAgentsandintermediateresultsontask1.TaskManagerreceivestheinputprompt(top)anddrivesExperimentDesignerandRobotOperatortocompleteTask1.Task1isdividedintothreesubtasks,eachcorrespondingtoadifferenttypeofmolecule(indicatedbydifferentcolors).Takingsubtask1(azobenzene)asanexample,theexperimentalproceduregeneratedbyExperimentDesignerandthecodegeneratedbyRobotOperatorareshown.Thesamplepreparationstep(step5)includesadding80μLofsamplesolutionontoaCaF2substrateandwaitingfornaturaldrying.
Detailsoftask2:SynthesizingmetaloxidesandcharacterizingbyPXRD
FigureS3.TheworkflowofChemAgentsandintermediateresultsontask2.TaskManagerreceivestheinputprompt(top)anddrivesExperimentDesignerandRobotOperatortocompleteTask2.Task2isdividedintosixsubtasks,eachcorrespondingtoadifferenttypeofmetaloxide(indicatedbydifferentcolors).Takingsubtask1(ZrO2)asanexample,theexperimentalproceduregeneratedbyExperimentDesignerandthecodegeneratedbyRobotOperatorareshown.Thesamplepreparationstep(step10)consistsofaddingthesamplesolutiondropwiseonaquartzsubstrateandwaitingfornaturaldrying.
FigureS4.PXRDpatternsofsixmetaloxideswiththeirstandardPDFcardsshownforcomparison,namely(A)ZrO?(PDF#80-0965).(B)ZnO(PDF#05-0664).(C)WO?(PDF#20-1324).(D)Mn?O?(PDF#24-0734).(E)CuO(PDF#80-1916)and(F)Fe?O?(PDF#89-0598).ThegraphitepeaksonthePXRDpatternsweregeneratedduringthesyntheticprocess,wheregraphenewasusedasacarriertoimpregnatewithmetalchlorideprecursorandthencalcinedtoobtainmetaloxides.
Detailsoftask3:Synthesizingperovskitequantumdots(PQDs)andcharacterizingbyfluorescencespectroscopy
FigureS5.TheworkflowofChemAgentsandintermediateresultsontask3.TaskManagerreceivestheinputprompt(top)anddrivesExperimentDesignerandRobotOperatortocompleteTask3.Task3isdividedintofoursubtasks,eachcorrespondingtoadifferentparameter(indicatedbydifferentcolors).Takingsubtask1(Parm1:22.4mgCH3NH3Br,36.7mgPdBr2,700mgpolyvinylalcohol)asanexample,theexperimentalproceduregeneratedbyExperimentDesignerandthecodegeneratedbyRobotOperatorareshown.Thesamplepreparationstep(step8)consistsofaddingthesamplesolutiondropwiseonaquartzsubstrateandwaitingfornaturaldrying.
Detailsoftask4:Synthesizinggraphiticcarbonnitrides(g-C3N4)andmeasuringphotocatalytichydrogenproductionbygaschromatography
FigureS6.TheworkflowofChemAgentsandintermediateresultsontask4.TaskManagerreceivestheinputprompt(top)anddrivesExperimentDesignerandRobotOperatortocompleteTask4.Task4isdividedintoninesubtasks,eachcorrespondingtoadifferentcombinationofheatingtemperaturesandheatingdurations(indicatedbydifferentcolors).Takingsubtask1(500℃,3hours)asanexample,theexperimentalproceduregeneratedbyExperimentDesignerandthecodegeneratedbyRobotOperatorareshown.Pre-preparedH2PtCl6solutions,containing3wt.%Pt,wereused.
Detailsoftask5:Synthesizingbismuthoxyhalides(BiOX)andmeasuringphotocatalyticdegradationoftetracyclinebyUV-visspectroscopy
FigureS7.TheworkflowofChemAgentsandintermediateresultsontask5.TaskManagerreceivestheinputprompt(top)anddrivesExperimentDesignerandRobotOperatortocompleteTask5.Task5isdividedintotwelvesubtasks,eachcorrespondingtoadifferentcombinationofelementsandphotocatalyticdurations(indicatedbydifferentcolors).Takingsubtask1(BiOCl,30minutes)asanexample,theexperimentalproceduregeneratedbyExperimentDesignerandthecodegeneratedbyRobotOperatorareshown.
Thetetracyclinewasdissolvedindeionizedwaterinadvancetoformanaqueoussolutionwithaconcentrationof10μgg-1.Subsequently,thepreparedBiOXwasmixedwiththeaqueoussolutionofTC,andthesuspensionwasplacedinthedarkunderconstantstirringfor30mintoreachtheadsorption/desorptionequilibriumbeforeexposuretolight.Photocatalyticdegradationofpollutantswasexecutedusingaphotocatalyticstation.ThedegradationperformanceofBiOXonTCwasobtainedbymeasuringthechangeinintensityofthemaximumabsorptionpeakat358nmusingUV-visspectroscopyandconvertingtheabsorbancetoconcentrationaccordingtotheLambert-Beerlaw.
Detailsoftask6:Synthesizingmetal-organichigh-entropycatalysts(MO-HECs)anddiscoveringtheoptimalcomponentsforoxygenevolutionreaction(OER)
FigureS8.TheworkflowofChemAgentsandintermediateresultsontask6.TaskManagerreceivestheinputprompt(top)anddrivesLiteratureReader,ExperimentDesigner,RobotOperatorandComputationPerformertocompleteTask6.Takingsubtask1(Co:Ni:Fe:Mn:Cu=0.32:0.26:0.15:0.15:0.12)asanexample,theexperimentalproceduregeneratedbyExperimentDesignerandthecodegeneratedbyRobotOperatorareshown.
Initially,dissolvethecorrespondingdivalentmetalacetates(chemicalformulaM(CH3COO)2)inDMFtoformprecursorsolutionswiththesamemolarconcentrationof50mmol/L.Finally,add5mLofDMFsolutioncontaining100mmol/Lterephthalicacid(i.e.,benzene-1,4-dicarboxylicacid).Thepreparedcatalystwasdispersedin8mLofmixedsolution(isopropylalcohol(7.8mL)and5wt%Nafion(0.2mL))topreparethecatalystink.Thesamplepreparationstep(step12)consistsoftreatmentonthemagneticstirringstationfor3minutesat500rpm,thecatalystink(200μL)wasdroppedontothesurfaceofthecarbonpaper(CP)withafixedworkingareaofca.1.5cm2anddriednaturally.
Allelectrochemicalmeasurementswereperformedontheelectrocatalyticstation(CHI-760E,CHInstrument)inastandardthree-electrodesystem,withhigh-entropymetal-organiccompoundcatalystonCPastheworkingelectrode,graphiterods(φ=5mm)asthecounterelectrode,andAg/AgClinsaturatedKClsolutionasthereferenceelectrode.OERtestswereperformedin1MKOHsolutionwiththeappliedvoltageconvertedtothereversiblehydrogenelectrode(RHE)followingtheequation:ERHE=EAg/AgCl+0.0592×pH+0.197Vtounifythepotentialwindow.Alltestresultsweredisplayedasrawresultswithoutanyfurtherprocessing(i.e.noiRcorrection).
FigureS9.Dataminingresultsrelatedtotask6.DuetothelimitationofPtbeingapreciousmetal,the5recommendedmetalsforLiteratureReaderareCo,Ni,Fe,Mn,andCu.
TableS1.100setsofroboticexperimentaldatafortask6.
Catalyst
No.
Elementalcomposition(%)
OverPotential@10.0mA/c
m2
(Vvs.RHE)
η10
(mV)
Co
Ni
Fe
Mn
Cu
1
0.32
0.26
0.15
0.15
0.12
1.5287
298.7
2
0.24
0.21
0.29
0.05
0.21
1.5299
299.9
3
0.27
0.07
0.1
0.21
0.35
1.5313
301.3
4
0.2
0.21
0.23
0.31
0.05
1.5315
301.5
5
0.08
0.23
0.22
0.17
0.3
1.5315
301.5
6
0.28
0.12
0.19
0.23
0.18
1.5318
301.8
7
0.29
0.14
0.28
0.21
0.08
1.5322
302.2
8
0.34
0.1
0.06
0.21
0.29
1.5328
302.8
9
0.1
0.31
0.32
0.13
0.14
1.5341
304.1
10
0.05
0.35
0.26
0.18
0.16
1.5351
305.1
11
0.1
0.33
0.22
0.1
0.25
1.5352
305.2
12
0.32
0.34
0.19
0.09
0.06
1.5355
305.5
13
0.3
0.07
0.33
0.07
0.23
1.5357
305.7
14
0.19
0.21
0.22
0.16
0.22
1.5358
305.8
15
0.21
0.16
0.26
0.19
0.18
1.5362
306.2
16
0.09
0.21
0.3
0.3
0.1
1.537
307
17
0.19
0.27
0.3
0.09
0.15
1.5381
308.1
18
0.09
0.28
0.31
0.13
0.19
1.539
309
19
0.33
0.13
0.14
0.16
0.24
1.5393
309.3
20
0.31
0.07
0.29
0.25
0.08
1.5398
309.8
21
0.07
0.23
0.19
0.23
0.28
1.5399
309.9
22
0.18
0.33
0.2
0.2
0.09
1.5406
310.6
23
0.18
0.08
0.29
0.35
0.1
1.5408
310.8
24
0.28
0.16
0.26
0.18
0.12
1.5411
311.1
25
0.05
0.31
0.2
0.23
0.21
1.5421
312.1
26
0.09
0.33
0.09
0.27
0.22
1.543
313
27
0.35
0.09
0.17
0.2
0.19
1.5433
313.3
28
0.34
0.06
0.33
0.15
0.12
1.5439
313.9
29
0.19
0.26
0.1
0.27
0.18
1.5446
314.6
30
0.09
0.34
0.33
0.17
0.07
1.5451
315.1
31
0.21
0.13
0.31
0.19
0.16
1.5452
315.2
32
0.19
0.05
0.3
0.27
0.19
1.5454
315.4
33
0.24
0.08
0.3
0.12
0.26
1.546
316
34
0.17
0.31
0.19
0.2
0.13
1.5462
316.2
35
0.16
0.08
0.29
0.3
0.17
1.547
317
36
0.18
0.15
0.22
0.1
0.35
1.547
317
37
0.15
0.1
0.28
0.28
0.19
1.5473
317.3
38
0.26
0.09
0.17
0.17
0.31
1.5475
317.5
39
0.23
0.34
0.29
0.06
0.08
1.5479
317.9
40
0.32
0.31
0.05
0.25
0.07
1.548
318
41
0.11
0.18
0.34
0.12
0.25
1.5489
318.9
42
0.14
0.18
0.29
0.2
0.19
1.5496
319.6
43
0.06
0.27
0.26
0.16
0.25
1.5511
321.1
44
0.31
0.06
0.07
0.35
0.21
1.5513
321.3
45
0.29
0.15
0.11
0.25
0.2
1.5521
322.1
46
0.07
0.31
0.33
0.24
0.05
1.5531
323.1
47
0.11
0.1
0.27
0.35
0.17
1.5536
323.6
48
0.33
0.13
0.11
0.24
0.19
1.5536
323.6
49
0.22
0.18
0.13
0.29
0.18
1.5545
324.5
50
0.32
0.14
0.17
0.17
0.2
1.555
325
51
0.35
0.17
0.08
0.2
0.2
1.5553
325.3
52
0.15
0.21
0.26
0.12
0.26
1.5558
325.8
53
0.08
0.26
0.29
0.2
0.17
1.5561
326.1
54
0.32
0.1
0.08
0.26
0.24
1.5568
326.8
55
0.33
0.08
0.07
0.28
0.24
1.5572
327.2
56
0.15
0.35
0.12
0.2
0.18
1.5577
327.7
57
0.18
0.06
0.35
0.08
0.33
1.5578
327.8
58
0.17
0.33
0.34
0.06
0.1
1.5579
327.9
59
0.17
0.18
0.35
0.24
0.06
1.558
328
60
0.15
0.23
0.19
0.09
0.34
1.5584
328.4
61
0.13
0.24
0.27
0.15
0.21
1.5587
328.7
62
0.17
0.12
0.15
0.33
0.23
1.5587
328.7
63
0.28
0.14
0.25
0.05
0.28
1.5601
330.1
64
0.13
0.12
0.16
0.35
0.24
1.5601
330.1
65
0.06
0.12
0.34
0.35
0.13
1.5607
330.7
66
0.33
0.1
0.05
0.24
0.28
1.5615
331.5
67
0.22
0.3
0.12
0.25
0.11
1.5621
332.1
68
0.25
0.11
0.2
0.14
0.3
1.5621
332.1
69
0.05
0.34
0.26
0.17
0.18
1.5634
333.4
70
0.24
0.07
0.25
0.3
0.14
1.564
334
71
0.17
0.06
0.21
0.21
0.35
1.5649
334.9
72
0.21
0.19
0.17
0.33
0.1
1.5656
335.6
73
0.16
0.26
0.31
0.05
0.22
1.5663
336.3
74
0.13
0.19
0.33
0.17
0.18
1.567
337
75
0.05
0.08
0.18
0.35
0.34
1.5672
337.2
76
0.15
0.12
0.27
0.11
0.35
1.5689
338.9
77
0.35
0.08
0.05
0.35
0.17
1.569
339
78
0.34
0.1
0.26
0.13
0.17
1.5695
339.5
79
0.08
0.23
0.22
0.19
0.28
1.5695
339.5
80
0.1
0.23
0.31
0.21
0.15
1.5696
339.6
81
0.25
0.08
0.11
0.29
0.27
1.5704
340.4
82
0.14
0.23
0.07
0.33
0.23
1.5709
340.9
83
0.34
0.19
0.06
0.17
0.24
1.5734
343.4
84
0.09
0.22
0.35
0.17
0.17
1.5741
344.1
85
0.11
0.06
0.27
0.35
0.21
1.5758
345.8
86
0.1
0.11
0.23
0.23
0.33
1.5779
347.9
87
0.23
0.05
0.33
0.08
0.31
1.578
348
88
0.05
0.29
0.05
0.26
0.35
1.5785
348.5
89
0.05
0.1
0.26
0.27
0.32
1.5789
348.9
90
0.14
0.16
0.25
0.34
0.11
1.5807
350.7
91
0.16
0.13
0.32
0.32
0.07
1.5809
350.9
92
0.2
0.08
0.21
0.17
0.34
1.5829
352.9
93
0.13
0.32
0.12
0.18
0.25
1.5848
354.8
94
0.32
0.14
0.21
0.23
0.1
1.5861
356.1
95
0.16
0.29
0.05
0.15
0.35
1.5868
356.8
96
0.09
0.27
0.35
0.07
0.22
1.5891
359.1
97
0.08
0.09
0.18
0.34
0.31
1.5902
360.2
98
0.12
0.15
0.14
0.28
0.31
1.6023
372.3
99
0.06
0.33
0.05
0.23
0.33
1.6063
376.3
100
0.07
0.28
0.07
0.26
0.32
1.612
382
TableS2.Bayesianoptimizedexperimentaldatafortask6.
Catalyst
No.
Elementalcomposition(%)
OverPotential@10.0mA/c
m2
(Vvs.RHE)
η10
(mV)
Co
Ni
Fe
Mn
Cu
1
30.81
34.35
16.44
8.64
9.77
1.4961
266.1
vo,tage(vvs.RHE)
2.0
1.6
va,,agechange=1.87%
1.2
chronopotentiometrytest@10mA/cm2
0.8
0.4
0.0
0100200300400500
Time(h)
FigureS10.DurabilitytestsoftheMO-HECbyusingchronoamperometrymeasurementsatcurrentdensitiesof10mAcm-2inKOHsolution,showinglessthana2%reductioninperformanceover500hoursofcontinuousoperation.
ExpertrulesfortheProtocolcriticagent
Thespecificpresetprompts(forexpertrules)areasfollows:
#Reflectiononexpertrules
Pleasechecktheprocedureaccordingtothefollowingexpertrules:
1.Thefirststepintheproceduremustbe'Retrievetherackfromthesamplerackstation.'.
2.Thefinalstepinthetemplatemustbe'Placetherackintothesamplerackstation.'.
3.Themaximumvolumeofsamplebottlesintheprocessis20g;pleaseensureallexperimentalparametersdonotexceedthisvolumeafteraddingsamples.
4.Experimentalparametersatthesolidstationandliquidstationmustbeintheunitofmass(grams).
5.Thestationprecedingthegaschromatographystationmustbetheencapsulationstation.
6.Beforeusingtheelectrocatalyticstation,ensurethereisliquidinthetestbottle.
7.BeforeusingtheUV-visspectroscopystation,ensurethereisliquidinthetestbottle.
ExpertrulesfortheCodecriticagent
Thespecificpresetprompts(forexpertrules)areasfollows:
#Reflectiononexpertrules
Pleasecheckthecodeaccordingtothefollowingexpertrules:
1.Movementandvisualpositioningmustbeperformedbeforeoperatingatadifferentstation.
2.Once'locate()'iscalled,thepreviousmanipulationposeobtainedby'locate()'willbecomeinvalid.
3.Ifthestationsoperatedinadjacentstepsarethesame,onlymovementandvisualpositioningneedtobeperformedatthefirsttime,andthefollowingstepsdonotneedtobeperformed.
4.Onlysolid,liquid,centrifugeandencapsulationstationsrequiretheplacementofbottles;otherstationsshouldplacesampleracksdirectlyasrequired.
5.Eachsamplerackholds10bottles,andeachsynthesisexperimentcorrespondstoaspecificbottle.Pleasedonotchangethebottlenumberstoavoiderrors.BecautiouswhencallingAPIsthatrequirespecifyingbottlenumbers,asthenumberingstartsfrom0.
6.Sampleracknumbersalsostartfrom0.Eachsynthesisexperimentcorrespondstoabottleinaspecificsamplerack.Ensuretheconsistencyofsampleracknumbersthroughouttheprogramtoavoiderrors.
7.Experimentalparametersatthesolidandliquidsamplingstationsmustbeinmassunits(grams).
8.Timeparametersatallstationsmustbeinseconds.
9.Thetimeittakestocallthe'wait()'functionissignificantlylongerthancallingotherfunctions.However,youstillneedtocall'wait()'wherenecessaryaccordingtothelimitations.
10.Theliquidstationhasacapacityof10channels.Duringadjacentliquiddispensingoperations,onlythefirsttimeabottleneedstobeplaced,andsubsequentinstrumentcommunicationisrequiredtochangetheliquidtypeandcontinuedispensing,andfinallytakethebottle.
AblationexperimentsforexpertruleswithinCodecritic
Foranotherexperimenton[dodecanethiol-capped3.5-nmAunanoparticles]intheProtocolLibrary,theresultsofsomeablationexperimentsforexpertruleswithinCodeCriticareasfollows:
WhenRuleNo.3oftheexpertruleswasnotinputasapresetprompttothelargelanguagemodel,itrepeatedthemovementandvisualpositioningoperationsintheadjacenttwochemicalliquiddispensingsteps(Block4andBlock5).
#Block1:Retrievetherackfromthesamplerackstationmove("samplerackstation")
locate("samplerackstation")
take_rack(0,"samplerackstation")
#Block2:Usetheliquidstationtoadd7.4gCHCl3solutionmove("liquidstation")
locate("liquidstation")
put_bottle(0,0,"liquidstation")
command("liquidstation",{"type":"CHCl3solution","mass":"7.4"})
wait("liquidstation")
take_bottle(0,0,"liquidstation")
#Block3:Usethesolidstationtoadd0.217gtert-butylamineboranecomplexmove("solidstation")
locate("solidstation")
put_bottle(0,0,"solidstation")
command("solidstation",{"type":"tert-butylamineboranecomplex","mass":"0.217"})
wait("solidstation")
take_bottle(0,0,"solidstation")
#Block4:Usetheliquidstationtoadd7.4gCHCl3-ClAuPPh3solution
move("liquidstation")
locate("liquidstation")
put_bottle(0,0,"liquidstation")
command("liquidstation",{"type":"CHCl3-ClAuPPh3solution","mass":"7.4"})
wait("liquidstation")
take_bottle(0,0,"liquidstation")
#Block5:Usetheliquidstationtoadd0.1056gdodecylmercaptan
move("liquidstation")
locate("liquidstation")
put_bottle(0,0,"liquidstation")
command("liquidstation",{"type":"dodecylmercaptan","mass":"0.1056"})
wait("liquidstation")
take_bottle(0,0,"liquidstation")
#Block6:Usethemagneticstirringstationmove("magneticstirringstation")
locate("magneticstirringstation")
put_rack(0,"magneticstirringstation")
command("magneticstirringstation",{"rpm":"500","temperature":"65","time":"18000"})wait("magneticstirringstation")
take_rack(0,"magneticstirringstation")
#Block7:Placetherackintothesamplerackstationmove("samplerackstation")
locate("samplerackstation")
put_rack(0,"samplerackstation")
WhenRuleNo.10oftheexpertruleswasnotinputasapresetprompttothelargelanguagemodel,itmadeanunnecessaryrepetitionofputtingandtakingthebottleintwoadjacentchemicalliquiddispensingsteps(Block4andBlock5).
#Block1:Retrievetherackfromthesamplerackstationmove("samplerackstation")
locate("samplerackstation")
take_rack(0,"samplerackstation")
#Block2:Usetheliquidstationtoadd7.4gCHCl3solutionmove("liquidstation")
locate("liquidstation")
put_bottle(0,0,"liquidstation")
command("liquidstation",{"type":"CHCl3solution","mass":"7.4"})
wait("liquidstation")
take_bottle(0,0,"liquidstation")
#Block3:Usethesolidstationtoadd0.217gtert-butylamineboranecomplexmove("solidstation")
locate("solidstation")
put_bottle(0,0,"solidstation")
command("solidstation",{"type":"tert-butylamineboranecomplex","mass":"0.217"})
wait("solidstation")
take_bottle(0,0,"solidstation")
#Block4:Usetheliquidstationtoadd7.4gCHCl3-ClAuPPh3solution
move("liquidstation")
locate("liquidstation")
put_bottle(0,0,"liquidstation")
command("liquidstation",{"type":"CHCl3-ClAuPPh3solution","mass":"7.4"})
wait("liquidstation")
take_bottle(0,0,"liquidstation")
#Block5:Usetheliquidstationtoadd0.1056gdodecylmercaptan
put_bottle(0,0,"liquidstation")
command("liquidstation",{"type":"dodecylmercaptan","mass":"0.1056"})
wait("liquidstation")
take_bottle(0,0,"liquidstation")
#Block6:Usethemagneticstirringstationmove("magneticstirringstation")
locate("magneticstirringstation")
put_rack(0,"magneticstirringstation")
command("magneticstirringstation",{"rpm":"500","temperature":"65","time":"18000"})wait("magneticstirringstation")
take_rack(0,"magneticstirringstation")
#Block7:Placetherackintothesamplerackstationmove("samplerackstation")
locate("samplerackstation")
put_rack(0,"samplerackstation")
Byinputtingcompleteexpertrules,thetwoadjacentchemicalliquiddispensingstepsweremergedintoone,greatlyoptimizingandimprovingtheresults(Block4).
#Block1:Retrievetherackfromthesamplerackstationmove("samplerackstation")
locate("samplerackstation")
take_rack(0,"samplerackstation")
#Block2:Usetheliquidstationtoadd7.4gCHCl3solutionmove("liquidstation")
locate("liquidstation")
put_bottle(0,0,"liquidstation")
command("liquidstation",{"type":"CHCl3solution","mass":"7.4"})
wait("liquidstation")
take_bottle(0,0,"liquidstation")
#Block3:Usethesolidstationtoadd0.217gtert-butylamineboranecomplexmove("solidstation")
locate("solidstation")
put_bottle(0,0,"solidstation")
command("solidstation",{"type":"tert-butylamineboranecomplex","mass":"0.217"})
wait("solidstation")
take_bottle(0,0,"solidstation")
#Block4:Usetheliquidstationtoadd7.4gCHCl3-ClAuPPh3solutionand0.1056gdodecylmercaptan
move("liquidstation")
locate("liquidstation")
put_bottle(0,0,"liquidstation")
command("liquidstation",{"type":"CHCl3-ClAuPPh3solution","mass":"7.4"})
wait("liquidstation")
command("liquidstation",{"type":"dodecylmercaptan","mass":"0.1056"})
wait("liquidstation")
take_bottle(0,0,"liquidstation")
#Block5:Usethemagneticstirringstationmove("magneticstirringstation")
locate("magneticstirringstation")
put_rack(0,"magneticstirringstation")
command("magneticstirringstation",{"rpm":"500","temperature":"65","time":"18000"})wait("magneticstirringstation")
take_rack(0,"magneticstirringstation")
#Block6:Placetherackintothesamplerackstationmove("samplerackstation")
locate("samplerackstation")
put_rack(0,"samplerackstation")
Detaileddefinitionsfor20experimentalstations
TableS3.Detaileddefinitionsfor20experimentalstations.
1.Samplerackstation:Forretrievingandreturningsampleracks.
2.Liquidstation:Foraddingpre-configuredliquidreagents(tendifferentreagentscanbeplacedatthesametime).Parametersthatcanbesetaremass(g)andthetypeofliquid.
3.Solidstation:Foraddingpre-filledsolidreagents.Parametersthatcanbesetaremass(g)andthetypeofsolid.
4.Magneticstirringstation:Formixingandstirringdifferentreagents(heatingpermitted)toobtainhomogeneoussolutionsorsampledispersions.Parametersthatcanbesetaretime(s),temperature(℃)andangularvelocity(rpm).
5.Centrifugestation:Forseparatingmixturesofliquidsandsolidparticles.Parametersthatcanbesetaretime(s)andangularvelocity(rpm).
6.Calcinationstation:Forcalciningandheatingsamples.Parametersthatcanbesetaretime(s),temperature(℃)andheatingrate(℃/min).
7.Aspirationstation:Foraspiratingthewasteliquidabovethesampleaftercentrifugation.
8.Dryingstation:Fordryingsamples.Parametersthatcanbesetaretime(s)andtemperature(℃).
9.Ultrasonicstation:Forcrushingsolidsamplesoracceleratingsampledissolution.Theparameterthatcanbesetisthetime(s).
10.Encapsulationstation:Forencapsulatingreactionvesselsundervacuum.
11.Photocatalyticstation:Forcarryingoutlightirradiationwithsimultaneousagitation.Theparameterthatcanbesetisthetime(s).
12.Gaschromatographystation:Formeasuringthegasproductionofreactionsystems.
13.Samplepreparationstation:Forpreparingsamplesforcharacterizationormeasurement.Specificproceduresdependonthetypeofsample.Theparameterthatcanbesetisthetypeofsample.
14.Ramanspectroscopystation:FormeasuringRamanspectraofsamples.
15.Infraredspectroscopystation:FormeasuringtheFT-IRspectraofsamples.
16.UV-visspectroscopystation:FormeasuringtheabsorptionofUV-vislightofsamples.
17.Fluorescencespectroscopystation:Formeasuringthefluorescencespectrumofsamples.
18.PXRDstation:Fordeterminingthephasecompositionofsamples.
19.LIBSstation:Formeasuringtheconcentrationofmajorandtraceelementsinsolid,liquid,orairsamples.
20.Electrocatalyticstation:Forperformingelectrocatalytictestsbyathree-electrodesystem.
RobotsandstationsoftheAutomatedLab
TheAutomatedLabintegratestworobotsand20automatedstationsandabackendcontrolsystemforallthehardware.Wehavetworobots:amobilerobotandabenchtoprobot.Themobilerobotiscapableoffreelymovingwithinthelaboratory,transportingsamples,andperformingexperimentalmanipulations.Primarily,themobilerobothandlestasksinvolvinginstrumentsarrangedaroundthelaboratory.Itisresponsibleforconductinghigh-throughputsynthesisexperiments.Thebenchtoprobotisplacedonacentralplatforminthelaboratoryandmoveslaterallyusingtracks.Theplatformcentrallyhou
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