Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study' (doi:10.18419/darus-2308)

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Part 1: Document Description
Part 2: Study Description
Part 3: Data Files Description
Part 4: Variable Description
Part 5: Other Study-Related Materials
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(external link)

Document Description

Citation

Title:

Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'

Identification Number:

doi:10.18419/darus-2308

Distributor:

DaRUS

Date of Distribution:

2022-04-26

Version:

1

Bibliographic Citation:

Kessler, Christopher; Schuldt, Robin; Emmerling, Sebastian; Lotsch, Bettina; Kästner, Johannes; Gross, Joachim; Hansen, Niels, 2022, "Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'", https://doi.org/10.18419/darus-2308, DaRUS, V1, UNF:6:ifmtNZEZHi+MkSvB5rd1dw== [fileUNF]

Study Description

Citation

Title:

Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'

Identification Number:

doi:10.18419/darus-2308

Authoring Entity:

Kessler, Christopher (Universität Stuttgart)

Schuldt, Robin (Universität Stuttgart)

Emmerling, Sebastian (Max-Planck-Institut für Festkörperforschung)

Lotsch, Bettina (Ludwig Maximilian Universität München, Max-Planck-Institut für Festkörperforschung)

Kästner, Johannes (Universität Stuttgart)

Gross, Joachim (Universität Stuttgart)

Hansen, Niels (Universität Stuttgart)

Date of Production:

2021-12-17

Grant Number:

358283783 - SFB 1333

Distributor:

DaRUS

Access Authority:

Hansen, Niels

Depositor:

Kessler, Christopher

Date of Deposit:

2021-12-16

Date of Distribution:

2021-12-17

Holdings Information:

https://doi.org/10.18419/darus-2308

Study Scope

Keywords:

Chemistry, Engineering, Physics, Adsorption, Grand Canonical Monte Carlo Simulation, Density Functional Theory, Covalent Organic Framework

Topic Classification:

Monte Carlo simulation, Adsorption, Density Functional Theory, Covalent Organic Framework

Abstract:

<p>This dataset contains results from Grand Canonical Monte Carlo (GCMC) Simulation (data/isotherms_sim/) and experiment (data/isotherms/exp). </p> <p>All Data is presented in a <a href="https://darus.uni-stuttgart.de/file.xhtml?fileId=108370">jupyter notebook</a> and for a fast overview without executing the notebook also as <a href="https://darus.uni-stuttgart.de/file.xhtml?fileId=108427">pdf-file</a>.<br> Furthermore the dataset contains the modified cif files of COF LZU-1, including partial charges obtained with DDEC method (data/cif/). Force field (data/forcefield/) and input files for raspa-code (data/input_files/) are also available. Results from simulations of material properties e.g. specific surface area can be found in data/material_properties/ and pore size distributions from raspa simulations are listed in data/output_psd/. The folder 'progs' simply contains functions to make the jupyter-notebook clearer.</p> We recommend viewing the data by choosing the option "Tree".

Kind of Data:

Results from experiments

Kind of Data:

Results from simulations

Kind of Data:

Inputfiles for simulations

Kind of Data:

Force fields for simulations

Kind of Data:

Structural Data

Kind of Data:

Methods to evaluate and visualize data

Methodology and Processing

Sources Statement

Data Access

Other Study Description Materials

Related Publications

Citation

Title:

Kessler, Christopher; Schuldt, Robin, Emmerling, Sebastian; Lotsch, Bettina, Kästner, Johannes; Gross, Joachim, Hansen, Niels: Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study. Microporous and Mesoporous Materials 336 (2022), 111796

Identification Number:

10.1016/j.micromeso.2022.111796

Bibliographic Citation:

Kessler, Christopher; Schuldt, Robin, Emmerling, Sebastian; Lotsch, Bettina, Kästner, Johannes; Gross, Joachim, Hansen, Niels: Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study. Microporous and Mesoporous Materials 336 (2022), 111796

File Description--f108413

File: exp_ar_87.tab

  • Number of cases: 101

  • No. of variables per record: 3

  • Type of File: text/tab-separated-values

Notes:

UNF:6:T5JWrLTi7G9fgsK0oWPwmQ==

File Description--f108360

File: exp_co2_273.tab

  • Number of cases: 47

  • No. of variables per record: 3

  • Type of File: text/tab-separated-values

Notes:

UNF:6:CHeFwYAq7nh8DZS+Co/KYQ==

File Description--f108422

File: exp_co2_288.tab

  • Number of cases: 60

  • No. of variables per record: 3

  • Type of File: text/tab-separated-values

Notes:

UNF:6:qslyxVmm2a/7VKZ0EBVm+w==

File Description--f108356

File: exp_co2_298.tab

  • Number of cases: 47

  • No. of variables per record: 2

  • Type of File: text/tab-separated-values

Notes:

UNF:6:bHaOXyMzQ1RLvzm/dHuxhQ==

File Description--f108421

File: exp_N2_27315.tab

  • Number of cases: 47

  • No. of variables per record: 3

  • Type of File: text/tab-separated-values

Notes:

UNF:6:QNh1zMkeRvt2uh6WPrhFEw==

File Description--f108412

File: exp_N2_298.tab

  • Number of cases: 47

  • No. of variables per record: 3

  • Type of File: text/tab-separated-values

Notes:

UNF:6:3vDFJKWNuVQf473GcIpK+w==

File Description--f108449

File: exp_N2_77.tab

  • Number of cases: 101

  • No. of variables per record: 3

  • Type of File: text/tab-separated-values

Notes:

UNF:6:anS4Zm9SmGEOS4e0E98Jag==

File Description--f108462

File: Ar_87K_random_structures.tab

  • Number of cases: 510

  • No. of variables per record: 12

  • Type of File: text/tab-separated-values

Notes:

UNF:6:+2KKl43onHm9S+jOa+X/GQ==

File Description--f108472

File: Ar_ff_variation_in_rand_1_4.tab

  • Number of cases: 663

  • No. of variables per record: 12

  • Type of File: text/tab-separated-values

Notes:

UNF:6:TaReKXjk9P5FA1dc1yBR7Q==

File Description--f108439

File: Ar_npt_rand_1_4.tab

  • Number of cases: 3

  • No. of variables per record: 12

  • Type of File: text/tab-separated-values

Notes:

UNF:6:/QbG9OJQX6IG7RTKxZHuJw==

File Description--f108400

File: Ar_random_structures.tab

  • Number of cases: 408

  • No. of variables per record: 12

  • Type of File: text/tab-separated-values

Notes:

UNF:6:jox4ORYCdQEOD7OkPZsd/Q==

File Description--f108396

File: charges_CO2_shifted_stacked.tab

  • Number of cases: 240

  • No. of variables per record: 12

  • Type of File: text/tab-separated-values

Notes:

UNF:6:pbxZDsEVin9LXn+D/Xkz/g==

File Description--f108347

File: charges_N2_shifted_stacked.tab

  • Number of cases: 222

  • No. of variables per record: 12

  • Type of File: text/tab-separated-values

Notes:

UNF:6:5uLt5c9O98vNEwIN4YW+Bw==

File Description--f108362

File: CO2_298K_random_structures.tab

  • Number of cases: 297

  • No. of variables per record: 12

  • Type of File: text/tab-separated-values

Notes:

UNF:6:gqYmycYVwxm4+IyF9JcLxQ==

File Description--f108471

File: N2_273K_random_structures.tab

  • Number of cases: 297

  • No. of variables per record: 12

  • Type of File: text/tab-separated-values

Notes:

UNF:6:lYnxGBbkEtBb9tvMscBQsA==

File Description--f108441

File: N2_298K_random_structures.tab

  • Number of cases: 281

  • No. of variables per record: 12

  • Type of File: text/tab-separated-values

Notes:

UNF:6:FMBj/IcP/vAWxJBeI0d9PQ==

File Description--f108438

File: N2_77K_random_structures.tab

  • Number of cases: 605

  • No. of variables per record: 12

  • Type of File: text/tab-separated-values

Notes:

UNF:6:ldjGNKM3L4XjuKCNOsADaw==

File Description--f108349

File: shifted_stacked_2layer_Ar_N2_CO2_all_T.tab

  • Number of cases: 516

  • No. of variables per record: 12

  • Type of File: text/tab-separated-values

Notes:

UNF:6:4KtZIr8g0mybqEfo4EkliQ==

File Description--f108342

File: b_void_surface.tab

  • Number of cases: 21

  • No. of variables per record: 7

  • Type of File: text/tab-separated-values

Notes:

UNF:6:nBEcC4Cgq2H3+4LavZ4O+A==

File Description--f108365

File: psd.tab

  • Number of cases: 20004

  • No. of variables per record: 4

  • Type of File: text/tab-separated-values

Notes:

UNF:6:B8SwfN3JgilkgDgcVJYiVA==

File Description--f108406

File: void_surface.tab

  • Number of cases: 33

  • No. of variables per record: 7

  • Type of File: text/tab-separated-values

Notes:

UNF:6:sAtsmOFkS+ewE4V0FDJydw==

Variable Description

List of Variables:

Variables

Press

f108413 Location:

Summary Statistics: Valid 101.0; Mean 294.4088732149505; StDev 239.7174454848762; Max. 719.898; Min. 0.00981821

Variable Format: numeric

Notes: UNF:6:AwaulYYvhH5vt+pZSOg3tg==

P0

f108413 Location:

Summary Statistics: Mean 724.5071287128712; StDev 1.3123492954496963; Valid 101.0; Max. 727.29; Min. 721.36;

Variable Format: numeric

Notes: UNF:6:K3K7M/H/L8Kd6YrXEjVMRQ==

VolumeSTP

f108413 Location:

Summary Statistics: Max. 13.2796; Min. 0.0482467; Mean 10.130592254455445; Valid 101.0; StDev 4.1234437592101445

Variable Format: numeric

Notes: UNF:6:C7VhIjIskggyQkkvCEKgKQ==

Press

f108360 Location:

Summary Statistics: Mean 262.4516570212766; Max. 759.925; Valid 47.0; StDev 240.76431879847115; Min. 7.52598

Variable Format: numeric

Notes: UNF:6:/wF2WZXpc5+6bPOGypD1kg==

P0

f108360 Location:

Summary Statistics: Min. 760.0; Valid 47.0; Mean 760.0; StDev 0.0; Max. 760.0

Variable Format: numeric

Notes: UNF:6:IHfI64YJiLq4EBwD7vRxpQ==

VolumeSTP

f108360 Location:

Summary Statistics: StDev 0.8025972274901872; Valid 47.0; Max. 2.51061; Min. 0.0277344; Mean 0.9107658212765958;

Variable Format: numeric

Notes: UNF:6:eL2ENED1G/Nm41SGSNRTMQ==

Press

f108422 Location:

Summary Statistics: Valid 60.0; Max. 763.51; Min. 0.788405; StDev 238.16937912965813; Mean 205.97132226666665

Variable Format: numeric

Notes: UNF:6:xLVY3Knbr4INpXcldrUIOQ==

P0

f108422 Location:

Summary Statistics: Valid 60.0; Mean 760.0; Max. 760.0; StDev 0.0; Min. 760.0

Variable Format: numeric

Notes: UNF:6:AoxBofPKujwchFeyaMvdOA==

VolumeSTP

f108422 Location:

Summary Statistics: StDev 0.5229095818566248; Valid 60.0; Mean 0.4653107448166667; Max. 1.63845; Min. 3.29961E-4

Variable Format: numeric

Notes: UNF:6:1qxwxdCFHbWmsXBxLUykqg==

rel_press

f108356 Location:

Summary Statistics: Valid 47.0; StDev 0.3160959650089519; Mean 0.34481252340425533; Max. 0.997734; Min. 0.0099297

Variable Format: numeric

Notes: UNF:6:0t8gGrK7S/FLtww3jxYHiA==

VolumeSTP

f108356 Location:

Summary Statistics: Max. 21.9675; StDev 7.059993923292624; Valid 47.0; Mean 8.019621276595744; Min. 0.2056

Variable Format: numeric

Notes: UNF:6:MIEg16wp4mFp6JxWJrQZxQ==

Press

f108421 Location:

Summary Statistics: Max. 761.667; Min. 7.59783; Valid 47.0; Mean 262.0840893617021; StDev 240.29464913890317

Variable Format: numeric

Notes: UNF:6:iNyRtHEDoEl75bJUc55Mng==

P0

f108421 Location:

Summary Statistics: StDev 0.0; Min. 760.0; Mean 760.0; Max. 760.0; Valid 47.0

Variable Format: numeric

Notes: UNF:6:IHfI64YJiLq4EBwD7vRxpQ==

VolumeSTP

f108421 Location:

Summary Statistics: Mean 0.12048021085106383; StDev 0.11256290483816422; Valid 47.0; Min. -0.0137361; Max. 0.351477;

Variable Format: numeric

Notes: UNF:6:CquC6WxiPu3AW48UTHfxrA==

Press

f108412 Location:

Summary Statistics: Min. 7.58434; Mean 262.0875863829787; Max. 762.698; StDev 240.3316271433877; Valid 47.0

Variable Format: numeric

Notes: UNF:6:spgmdtCTkciQoJb1wweoog==

P0

f108412 Location:

Summary Statistics: Max. 760.0; Min. 760.0; Valid 47.0; StDev 0.0; Mean 760.0

Variable Format: numeric

Notes: UNF:6:IHfI64YJiLq4EBwD7vRxpQ==

VolumeSTP

f108412 Location:

Summary Statistics: Mean 0.04799745423404255; Max. 0.139391; StDev 0.04528087932581084; Valid 47.0; Min. -0.0084365;

Variable Format: numeric

Notes: UNF:6:fvb0RWlQw088uaNG6Nz4CQ==

Press

f108449 Location:

Summary Statistics: Min. 0.0073612; Valid 101.0; StDev 243.8030328180589; Max. 732.44; Mean 299.51051821386136;

Variable Format: numeric

Notes: UNF:6:3bbWM0ogIwc+C03SH2UEUg==

P0

f108449 Location:

Summary Statistics: Min. 735.28; Valid 101.0; Mean 736.7624752475248; Max. 737.33; StDev 0.327497804391405

Variable Format: numeric

Notes: UNF:6:RoyKORFEuSOZMQ3H6ltzmA==

VolumeSTP

f108449 Location:

Summary Statistics: Min. 0.775162; Mean 23.394610217821782; Valid 101.0; StDev 7.318354337905753; Max. 28.7936;

Variable Format: numeric

Notes: UNF:6:lnczxVtYLQmcTn66Qe4zRg==

ext_press

f108462 Location:

Summary Statistics: Mean 0.22704629411764707; Min. 1.0E-5; Max. 0.993607; Valid 510.0; StDev 0.31539030921929384

Variable Format: numeric

Notes: UNF:6:oPqWt7U7nikF2jw4cIujTA==

temp

f108462 Location:

Summary Statistics: StDev 0.0; Max. 87.0; Mean 87.0; Min. 87.0; Valid 510.0

Variable Format: numeric

Notes: UNF:6:oMgynPh29ffAzKZxphsPng==

exc_molPerKg

f108462 Location:

Summary Statistics: Min. 0.026; Valid 510.0; StDev 12.917205074411877; Mean 21.76822745098039; Max. 39.704

Variable Format: numeric

Notes: UNF:6:1MrkaT1zPklKREGOOCKgwg==

exc_err_molPerKg

f108462 Location:

Summary Statistics: Max. 39.704; Mean 21.76822745098039; StDev 12.917205074411877; Min. 0.026; Valid 510.0;

Variable Format: numeric

Notes: UNF:6:1MrkaT1zPklKREGOOCKgwg==

exc_loadSTP

f108462 Location:

Summary Statistics: Max. 889.928; Min. 0.589; Valid 510.0; StDev 289.5257515872395; Mean 487.91260980392155

Variable Format: numeric

Notes: UNF:6:7/UOT3IxjLo+OWrPkpHVMQ==

exc_err_loadSTP

f108462 Location:

Summary Statistics: Mean 5.443480392156863; StDev 8.136633052850943; Max. 129.086; Min. 0.048; Valid 510.0

Variable Format: numeric

Notes: UNF:6:lAc1EAZVt0vfsSBXrLPAHw==

molPerKg

f108462 Location:

Summary Statistics: Mean 24.7520431372549; Max. 39.867; Valid 510.0; Min. 0.026; StDev 12.571271537628636

Variable Format: numeric

Notes: UNF:6:KHgX60dwV2hX3ZLpykSCjg==

err_molPerKg

f108462 Location:

Summary Statistics: StDev 12.571271537628636; Max. 39.867; Min. 0.026; Valid 510.0; Mean 24.7520431372549

Variable Format: numeric

Notes: UNF:6:KHgX60dwV2hX3ZLpykSCjg==

loadSTP

f108462 Location:

Summary Statistics: Valid 510.0; Min. 0.589; StDev 281.7719800430388; Max. 893.581; Mean 554.7915862745098;

Variable Format: numeric

Notes: UNF:6:VPBoZivc9CZBszaC5u3lTg==

err_loadSTP

f108462 Location:

Summary Statistics: StDev 8.136633052850943; Min. 0.048; Mean 5.443480392156863; Valid 510.0; Max. 129.086;

Variable Format: numeric

Notes: UNF:6:lAc1EAZVt0vfsSBXrLPAHw==

heatofadsorption

f108462 Location:

Summary Statistics: Mean -11.944414; StDev 1.4180232987891694; Min. -15.70876; Max. -9.38914; Valid 510.0;

Variable Format: numeric

Notes: UNF:6:Zt1dUgEKCvEiDo+wct+oqw==

name

f108462 Location:

Variable Format: character

Notes: UNF:6:P9Pg2Lpp+utcStF873NJ5w==

ext_press

f108472 Location:

Summary Statistics: Valid 663.0; StDev 0.3153188380601892; Mean 0.22704629411764707; Min. 1.0E-5; Max. 0.993607

Variable Format: numeric

Notes: UNF:6:PDIZ5+79Y51Zan9i6Ib06g==

temp

f108472 Location:

Summary Statistics: Min. 87.3; Max. 87.3; StDev 0.0; Valid 663.0; Mean 87.3;

Variable Format: numeric

Notes: UNF:6:tdqPlgVhKNQTjAIcHTnBJQ==

exc_molPerKg

f108472 Location:

Summary Statistics: Mean 21.515211161387633; Min. 0.005; StDev 13.829134824515176; Valid 663.0; Max. 48.933

Variable Format: numeric

Notes: UNF:6:j6WKJ9CsEVIK8jS8dGRWvQ==

exc_err_molPerKg

f108472 Location:

Summary Statistics: Max. 48.933; Min. 0.005; Mean 21.515211161387633; StDev 13.829134824515176; Valid 663.0;

Variable Format: numeric

Notes: UNF:6:j6WKJ9CsEVIK8jS8dGRWvQ==

exc_loadSTP

f108472 Location:

Summary Statistics: Valid 663.0; StDev 309.9661127420786; Max. 1096.784; Mean 482.2413559577677; Min. 0.123

Variable Format: numeric

Notes: UNF:6:6r5xHJPi5tF3o+SFYscaGg==

exc_err_loadSTP

f108472 Location:

Summary Statistics: Min. 0.006; Valid 663.0; StDev 5.693605322595179; Max. 97.899; Mean 5.597998491704375

Variable Format: numeric

Notes: UNF:6:eFT56ysPb8Z6xmZOy0QuVA==

molPerKg

f108472 Location:

Summary Statistics: StDev 13.881037656930333; Min. 0.005; Mean 23.839217194570136; Max. 49.06; Valid 663.0;

Variable Format: numeric

Notes: UNF:6:G+x3jp79HbEQ1t/F4fEcqA==

err_molPerKg

f108472 Location:

Summary Statistics: Min. 0.005; Mean 23.839217194570136; Valid 663.0; Max. 49.06; StDev 13.881037656930333

Variable Format: numeric

Notes: UNF:6:G+x3jp79HbEQ1t/F4fEcqA==

loadSTP

f108472 Location:

Summary Statistics: StDev 311.12951743501077; Mean 534.3317224736048; Valid 663.0; Max. 1099.638; Min. 0.123;

Variable Format: numeric

Notes: UNF:6:eUz4AQ/AqlQ+uLVN3Ud1XA==

err_loadSTP

f108472 Location:

Summary Statistics: Valid 663.0; StDev 5.693605322595179; Min. 0.006; Mean 5.597998491704375; Max. 97.899

Variable Format: numeric

Notes: UNF:6:eFT56ysPb8Z6xmZOy0QuVA==

heatofadsorption

f108472 Location:

Summary Statistics: StDev 1.6980796599382295; Max. -8.26992; Valid 663.0; Mean -12.08938076923077; Min. -16.55938

Variable Format: numeric

Notes: UNF:6:r5XXu+DhGINpgDXD6VQEsA==

name

f108472 Location:

Variable Format: character

Notes: UNF:6:ffvnNiYpc57f6nJ/EYsQUA==

ext_press

f108439 Location:

Summary Statistics: Mean 0.34508333333333335; StDev 0.5787357089668248; Min. 0.001; Max. 1.01325; Valid 3.0;

Variable Format: numeric

Notes: UNF:6:zzIJXb/LJZHBfhtS96UAcg==

temp

f108439 Location:

Summary Statistics: Max. 87.3; Min. 87.3; StDev 0.0; Mean 87.3; Valid 3.0;

Variable Format: numeric

Notes: UNF:6:QpGW25iCe3stAdvoMT6KbA==

exc_molPerKg

f108439 Location:

Summary Statistics: Min. 4.071; Mean 25.701333333333334; StDev 18.73246866628457; Max. 36.56; Valid 3.0

Variable Format: numeric

Notes: UNF:6:9fD6Kb0UzPJwJD3vSa9RzA==

exc_err_molPerKg

f108439 Location:

Summary Statistics: Min. 4.071; Max. 36.56; StDev 18.73246866628457; Valid 3.0; Mean 25.701333333333334;

Variable Format: numeric

Notes: UNF:6:9fD6Kb0UzPJwJD3vSa9RzA==

exc_loadSTP

f108439 Location:

Summary Statistics: StDev 419.87102545424585; Valid 3.0; Min. 91.247; Max. 819.455; Mean 576.071;

Variable Format: numeric

Notes: UNF:6:95+UnLJch+bmyLKQ8jiLpw==

exc_err_loadSTP

f108439 Location:

Summary Statistics: StDev 1.1760996272992068; Max. 7.697; Valid 3.0; Mean 6.400666666666667; Min. 5.402

Variable Format: numeric

Notes: UNF:6:plucPmzCdvnMr3oAfuQQNQ==

molPerKg

f108439 Location:

Summary Statistics: Max. 36.56; Valid 3.0; StDev 18.73246866628457; Min. 4.071; Mean 25.701333333333334;

Variable Format: numeric

Notes: UNF:6:9fD6Kb0UzPJwJD3vSa9RzA==

err_molPerKg

f108439 Location:

Summary Statistics: Max. 36.56; Mean 25.701333333333334; Min. 4.071; StDev 18.73246866628457; Valid 3.0;

Variable Format: numeric

Notes: UNF:6:9fD6Kb0UzPJwJD3vSa9RzA==

loadSTP

f108439 Location:

Summary Statistics: StDev 419.87102545424585; Min. 91.247; Mean 576.071; Max. 819.455; Valid 3.0

Variable Format: numeric

Notes: UNF:6:95+UnLJch+bmyLKQ8jiLpw==

err_loadSTP

f108439 Location:

Summary Statistics: Min. 5.402; Valid 3.0; Max. 7.697; Mean 6.400666666666667; StDev 1.1760996272992068;

Variable Format: numeric

Notes: UNF:6:plucPmzCdvnMr3oAfuQQNQ==

heatofadsorption

f108439 Location:

Summary Statistics: StDev 1.7577753663461477; Max. -11.49364; Valid 3.0; Mean -13.502033333333333; Min. -14.76028

Variable Format: numeric

Notes: UNF:6:NvsYLlxFdqyPHLoC0SAgDg==

name

f108439 Location:

Variable Format: character

Notes: UNF:6:uj/IL8ARPg7+XMLx5lZ2uQ==

ext_press

f108400 Location:

Summary Statistics: StDev 0.31546779117826157; Mean 0.22704629411764707; Min. 1.0E-5; Max. 0.993607; Valid 408.0

Variable Format: numeric

Notes: UNF:6:t36O6VbObXmQdLmAJTOsHw==

temp

f108400 Location:

Summary Statistics: StDev 0.0; Max. 87.3; Min. 87.3; Valid 408.0; Mean 87.3;

Variable Format: numeric

Notes: UNF:6:fbiUYN5I1znHZEbGtyJx6g==

exc_molPerKg

f108400 Location:

Summary Statistics: Min. 0.06; Valid 408.0; Max. 37.169; StDev 12.635772659561576; Mean 21.90881862745098;

Variable Format: numeric

Notes: UNF:6:ZDV7qnM7RUzpiekbhglimQ==

exc_err_molPerKg

f108400 Location:

Summary Statistics: Valid 408.0; Max. 37.169; Min. 0.06; Mean 21.90881862745098; StDev 12.635772659561576

Variable Format: numeric

Notes: UNF:6:ZDV7qnM7RUzpiekbhglimQ==

exc_loadSTP

f108400 Location:

Summary Statistics: StDev 283.21682275163806; Max. 833.096; Mean 491.0633774509804; Min. 1.349; Valid 408.0;

Variable Format: numeric

Notes: UNF:6:00wMR5JavuNgChNE2UKDbg==

exc_err_loadSTP

f108400 Location:

Summary Statistics: Min. 0.051; StDev 8.72988423331352; Mean 6.081985294117647; Valid 408.0; Max. 97.899;

Variable Format: numeric

Notes: UNF:6:rngXt1Y59P5Fs710ZXSnWg==

molPerKg

f108400 Location:

Summary Statistics: StDev 12.403830839192356; Min. 0.06; Valid 408.0; Mean 24.22516911764706; Max. 37.341

Variable Format: numeric

Notes: UNF:6:PV0P7Cy1mXcAHTg8Io8cCg==

err_molPerKg

f108400 Location:

Summary Statistics: StDev 12.403830839192356; Min. 0.06; Max. 37.341; Mean 24.22516911764706; Valid 408.0;

Variable Format: numeric

Notes: UNF:6:PV0P7Cy1mXcAHTg8Io8cCg==

loadSTP

f108400 Location:

Summary Statistics: Valid 408.0; Mean 542.9822696078431; StDev 278.019030410879; Max. 836.954; Min. 1.349;

Variable Format: numeric

Notes: UNF:6:/u+SRhk7iLUTpXPNMx7qeg==

err_loadSTP

f108400 Location:

Summary Statistics: Mean 6.081985294117647; Min. 0.051; StDev 8.72988423331352; Valid 408.0; Max. 97.899;

Variable Format: numeric

Notes: UNF:6:rngXt1Y59P5Fs710ZXSnWg==

heatofadsorption

f108400 Location:

Summary Statistics: StDev 1.507368568472694; Mean -12.067143897058823; Min. -15.60031; Max. -9.55017; Valid 408.0;

Variable Format: numeric

Notes: UNF:6:BeV4wG321K/4Nb+j7Ohf2w==

name

f108400 Location:

Variable Format: character

Notes: UNF:6:tdClxQJPXTtS2n/oY0kXTg==

ext_press

f108396 Location:

Summary Statistics: Mean 0.155649525; Valid 240.0; Max. 1.00462; Min. 0.001037; StDev 0.2455645731280217;

Variable Format: numeric

Notes: UNF:6:mlPXQK8MR2rmPqIaxOB+8g==

temp

f108396 Location:

Summary Statistics: StDev 0.0; Mean 288.0; Valid 240.0; Min. 288.0; Max. 288.0;

Variable Format: numeric

Notes: UNF:6:2JDE6c0ogVBBggKluw2nfA==

exc_molPerKg

f108396 Location:

Summary Statistics: Mean 0.0946; StDev 0.15589269992919294; Max. 0.792; Valid 240.0; Min. 0.0

Variable Format: numeric

Notes: UNF:6:tj8+GEOO4Yl7VpKik4BuLw==

exc_err_molPerKg

f108396 Location:

Summary Statistics: Max. 0.792; Mean 0.0946; Valid 240.0; Min. 0.0; StDev 0.15589269992919294;

Variable Format: numeric

Notes: UNF:6:tj8+GEOO4Yl7VpKik4BuLw==

exc_loadSTP

f108396 Location:

Summary Statistics: StDev 3.4949261342614255; Mean 2.1206375; Max. 17.756; Min. 0.01; Valid 240.0;

Variable Format: numeric

Notes: UNF:6:nBob6XnYNhkgHxBDU5/umw==

exc_err_loadSTP

f108396 Location:

Summary Statistics: StDev 0.09067113309026027; Valid 240.0; Mean 0.04792916666666666; Min. 0.001; Max. 0.543;

Variable Format: numeric

Notes: UNF:6:cfiV6Z4e6HM2lhfbXvdf3Q==

molPerKg

f108396 Location:

Summary Statistics: StDev 0.16712292638775586; Min. 0.0; Mean 0.10216666666666667; Max. 0.838; Valid 240.0

Variable Format: numeric

Notes: UNF:6:xLbcH7bbZguovKNlD64PWA==

err_molPerKg

f108396 Location:

Summary Statistics: Max. 0.838; Min. 0.0; Mean 0.10216666666666667; Valid 240.0; StDev 0.16712292638775586

Variable Format: numeric

Notes: UNF:6:xLbcH7bbZguovKNlD64PWA==

loadSTP

f108396 Location:

Summary Statistics: StDev 3.7466338060386417; Max. 18.782; Mean 2.2895458333333334; Min. 0.011; Valid 240.0

Variable Format: numeric

Notes: UNF:6:Nk4bz5Wr5zg0J+o2BqdyoA==

err_loadSTP

f108396 Location:

Summary Statistics: Valid 240.0; Mean 0.04792916666666666; Max. 0.543; Min. 0.001; StDev 0.09067113309026027

Variable Format: numeric

Notes: UNF:6:cfiV6Z4e6HM2lhfbXvdf3Q==

heatofadsorption

f108396 Location:

Summary Statistics: Mean -13.991331416666666; Valid 240.0; StDev 1.4264438741435526; Max. -12.21757; Min. -15.64603

Variable Format: numeric

Notes: UNF:6:bnU2dUyziG2v8ay1QPmz/w==

name

f108396 Location:

Variable Format: character

Notes: UNF:6:8D2Cn7uZzGYWF2phRLYvdQ==

ext_press

f108347 Location:

Summary Statistics: Mean 0.30633408108108107; Valid 222.0; StDev 0.33830203813094306; Max. 0.993607; Min. 1.0E-5

Variable Format: numeric

Notes: UNF:6:63mBOugise5KB6S2KEcIJw==

temp

f108347 Location:

Summary Statistics: Min. 77.0; Valid 222.0; StDev 0.0; Mean 77.0; Max. 77.0

Variable Format: numeric

Notes: UNF:6:ziTanU9e3PL7gAHQ+3gOWA==

exc_molPerKg

f108347 Location:

Summary Statistics: Max. 35.269; Mean 23.01072072072072; Min. 0.072; StDev 12.246093439829485; Valid 222.0;

Variable Format: numeric

Notes: UNF:6:Y2mMjYhz/FAptOEDQmTEhg==

exc_err_molPerKg

f108347 Location:

Summary Statistics: Min. 0.072; StDev 12.246093439829485; Mean 23.01072072072072; Valid 222.0; Max. 35.269

Variable Format: numeric

Notes: UNF:6:Y2mMjYhz/FAptOEDQmTEhg==

exc_loadSTP

f108347 Location:

Summary Statistics: Min. 1.608; Mean 515.7618063063063; StDev 274.4843449848931; Valid 222.0; Max. 790.528

Variable Format: numeric

Notes: UNF:6:ETXaerTjw2lxXpDU6g3ohw==

exc_err_loadSTP

f108347 Location:

Summary Statistics: Min. 0.053; Valid 222.0; Mean 3.0345945945945947; StDev 1.8163878524086996; Max. 9.115;

Variable Format: numeric

Notes: UNF:6:QnvVQwXrWVWfs9+CWTZstQ==

molPerKg

f108347 Location:

Summary Statistics: Valid 222.0; StDev 12.014298135688346; Min. 0.072; Max. 35.498; Mean 23.80309009009009

Variable Format: numeric

Notes: UNF:6:QAhwDPrv8MsYU2ukC4SsAg==

err_molPerKg

f108347 Location:

Summary Statistics: Valid 222.0; StDev 12.014298135688346; Min. 0.072; Mean 23.80309009009009; Max. 35.498

Variable Format: numeric

Notes: UNF:6:QAhwDPrv8MsYU2ukC4SsAg==

loadSTP

f108347 Location:

Summary Statistics: Mean 533.5217432432432; StDev 269.2883525752114; Max. 795.652; Min. 1.608; Valid 222.0

Variable Format: numeric

Notes: UNF:6:6pxXbpalmmcaHiRm168gIA==

err_loadSTP

f108347 Location:

Summary Statistics: Mean 3.0345945945945947; Valid 222.0; Min. 0.053; Max. 9.115; StDev 1.8163878524086996

Variable Format: numeric

Notes: UNF:6:QnvVQwXrWVWfs9+CWTZstQ==

heatofadsorption

f108347 Location:

Summary Statistics: Max. -9.2656; Valid 222.0; Mean -11.463585135135135; Min. -14.0089; StDev 1.0575303374961127

Variable Format: numeric

Notes: UNF:6:RC2ZsCK02P4UQVzWa31EGg==

name

f108347 Location:

Variable Format: character

Notes: UNF:6:xW9/abwlPOggJNMPvQWaFg==

ext_press

f108362 Location:

Summary Statistics: Max. 0.997734; StDev 0.2693143951432028; Mean 0.22909277777777778; Min. 0.010105; Valid 297.0

Variable Format: numeric

Notes: UNF:6:IQKOFXQYMoUY/OXCBN10dA==

temp

f108362 Location:

Summary Statistics: StDev 0.0; Valid 297.0; Max. 298.0; Mean 298.0; Min. 298.0

Variable Format: numeric

Notes: UNF:6:k67b63DkSZwMCiNm0G9q2g==

exc_molPerKg

f108362 Location:

Summary Statistics: Valid 297.0; StDev 0.2504593010353407; Max. 1.995; Min. 0.004; Mean 0.165996632996633

Variable Format: numeric

Notes: UNF:6:awoTdRtVGrBs1k7PQc7UrA==

exc_err_molPerKg

f108362 Location:

Summary Statistics: Mean 0.165996632996633; Min. 0.004; Max. 1.995; Valid 297.0; StDev 0.2504593010353407

Variable Format: numeric

Notes: UNF:6:awoTdRtVGrBs1k7PQc7UrA==

exc_loadSTP

f108362 Location:

Summary Statistics: Min. 0.083; StDev 5.613934571554242; Mean 3.72113468013468; Max. 44.721; Valid 297.0;

Variable Format: numeric

Notes: UNF:6:TjmWIUfK9MFB0qHbsAWJ/w==

exc_err_loadSTP

f108362 Location:

Summary Statistics: StDev 0.17585225362791093; Max. 1.113; Mean 0.12938720538720538; Valid 297.0; Min. 0.002

Variable Format: numeric

Notes: UNF:6:DOuihZg1BxMfqoDfSMtz2w==

molPerKg

f108362 Location:

Summary Statistics: Max. 2.038; Min. 0.004; Valid 297.0; StDev 0.2592945115783281; Mean 0.1759090909090909

Variable Format: numeric

Notes: UNF:6:wyfULNZM2ppKMT3Ol2AJgw==

err_molPerKg

f108362 Location:

Summary Statistics: StDev 0.2592945115783281; Min. 0.004; Max. 2.038; Mean 0.1759090909090909; Valid 297.0;

Variable Format: numeric

Notes: UNF:6:wyfULNZM2ppKMT3Ol2AJgw==

loadSTP

f108362 Location:

Summary Statistics: Valid 297.0; Max. 45.673; StDev 5.811497035718058; Mean 3.94303367003367; Min. 0.094

Variable Format: numeric

Notes: UNF:6:XtE4iSHUXy0BjFyE040u/A==

err_loadSTP

f108362 Location:

Summary Statistics: Min. 0.002; StDev 0.17585225362791093; Max. 1.113; Valid 297.0; Mean 0.12938720538720538;

Variable Format: numeric

Notes: UNF:6:DOuihZg1BxMfqoDfSMtz2w==

heatofadsorption

f108362 Location:

Summary Statistics: Min. -23.23618; StDev 2.5656426943664927; Max. -12.33928; Mean -15.551845824915825; Valid 297.0;

Variable Format: numeric

Notes: UNF:6:HQmOpHZ/PrTglenKf5PL6w==

name

f108362 Location:

Variable Format: character

Notes: UNF:6:s1GOnepMuReai/ASzw5ttw==

ext_press

f108471 Location:

Summary Statistics: Max. 1.00355; Min. 0.010041; Valid 297.0; Mean 0.23048662962962962; StDev 0.2708745751057373;

Variable Format: numeric

Notes: UNF:6:eSR8Se+HPWr1lrU14U0hmA==

temp

f108471 Location:

Summary Statistics: Mean 273.15; Max. 273.15; Valid 297.0; StDev 0.0; Min. 273.15;

Variable Format: numeric

Notes: UNF:6:JjdXanS8OKcThEujJdOFeA==

exc_molPerKg

f108471 Location:

Summary Statistics: Mean 0.04852188552188552; Min. 0.002; StDev 0.06031096522327034; Max. 0.378; Valid 297.0

Variable Format: numeric

Notes: UNF:6:Cifzi4sApSYLSv9QIKb15A==

exc_err_molPerKg

f108471 Location:

Summary Statistics: StDev 0.06031096522327034; Mean 0.04852188552188552; Valid 297.0; Max. 0.378; Min. 0.002

Variable Format: numeric

Notes: UNF:6:Cifzi4sApSYLSv9QIKb15A==

exc_loadSTP

f108471 Location:

Summary Statistics: StDev 1.3517572642916333; Valid 297.0; Min. 0.034; Max. 8.463; Mean 1.08703367003367

Variable Format: numeric

Notes: UNF:6:kO5inF6JgUY5KIEhfcGwng==

exc_err_loadSTP

f108471 Location:

Summary Statistics: Max. 0.496; Mean 0.0430942760942761; StDev 0.054733919033830306; Min. 0.002; Valid 297.0

Variable Format: numeric

Notes: UNF:6:RNwifOp+VTI/78KLI+bMjw==

molPerKg

f108471 Location:

Summary Statistics: Max. 0.424; Mean 0.05933333333333333; Min. 0.002; Valid 297.0; StDev 0.07236058356629013;

Variable Format: numeric

Notes: UNF:6:tFm0NIkQaE/JlkaLT3sHoA==

err_molPerKg

f108471 Location:

Summary Statistics: Max. 0.424; StDev 0.07236058356629013; Mean 0.05933333333333333; Valid 297.0; Min. 0.002;

Variable Format: numeric

Notes: UNF:6:tFm0NIkQaE/JlkaLT3sHoA==

loadSTP

f108471 Location:

Summary Statistics: Mean 1.329925925925926; Min. 0.046; StDev 1.6216380506967232; Valid 297.0; Max. 9.502;

Variable Format: numeric

Notes: UNF:6:GURgXE4ki7KIr6eo9q+Ntw==

err_loadSTP

f108471 Location:

Summary Statistics: Valid 297.0; Max. 0.496; StDev 0.054733919033830306; Min. 0.002; Mean 0.0430942760942761;

Variable Format: numeric

Notes: UNF:6:RNwifOp+VTI/78KLI+bMjw==

heatofadsorption

f108471 Location:

Summary Statistics: Min. -12.5886; Max. -8.21528; StDev 1.0531206897629135; Valid 297.0; Mean -9.68424202020202;

Variable Format: numeric

Notes: UNF:6:kDYpzLb7XwxsRsn6p24Qag==

name

f108471 Location:

Variable Format: character

Notes: UNF:6:s1GOnepMuReai/ASzw5ttw==

ext_press

f108441 Location:

Summary Statistics: Valid 281.0; StDev 0.27049932876369004; Min. 0.010041; Mean 0.23006253380782918; Max. 1.00355

Variable Format: numeric

Notes: UNF:6:6W2IkZnCfAhCnsxCCx71Qw==

temp

f108441 Location:

Summary Statistics: Max. 298.0; Valid 281.0; Min. 298.0; StDev 0.0; Mean 298.0

Variable Format: numeric

Notes: UNF:6:u81N5VPFvGIfk3FhkA4yng==

exc_molPerKg

f108441 Location:

Summary Statistics: Min. 0.001; Mean 0.032405693950177936; StDev 0.039839308966041494; Max. 0.234; Valid 281.0;

Variable Format: numeric

Notes: UNF:6:romKfclw4NHGAeExae6Zag==

exc_err_molPerKg

f108441 Location:

Summary Statistics: Min. 0.001; StDev 0.039839308966041494; Valid 281.0; Mean 0.032405693950177936; Max. 0.234

Variable Format: numeric

Notes: UNF:6:romKfclw4NHGAeExae6Zag==

exc_loadSTP

f108441 Location:

Summary Statistics: Valid 281.0; StDev 0.8933136522756973; Mean 0.7269110320284697; Min. 0.023; Max. 5.256

Variable Format: numeric

Notes: UNF:6:sg0AebZVHprHJPJXdUoE1A==

exc_err_loadSTP

f108441 Location:

Summary Statistics: Max. 0.19; Min. 0.002; Mean 0.030772241992882563; Valid 281.0; StDev 0.034818069174308706;

Variable Format: numeric

Notes: UNF:6:6iLMStRZ9qKIOD4EMXr55g==

molPerKg

f108441 Location:

Summary Statistics: Valid 281.0; Min. 0.002; Max. 0.277; StDev 0.05106769657973956; Mean 0.04235943060498221

Variable Format: numeric

Notes: UNF:6:ZM9hDR0xWTgOrO/ARnf2Bw==

err_molPerKg

f108441 Location:

Summary Statistics: Mean 0.04235943060498221; Max. 0.277; Valid 281.0; Min. 0.002; StDev 0.05106769657973956

Variable Format: numeric

Notes: UNF:6:ZM9hDR0xWTgOrO/ARnf2Bw==

loadSTP

f108441 Location:

Summary Statistics: Mean 0.9492811387900356; Max. 6.209; Valid 281.0; StDev 1.1440865707598291; Min. 0.034

Variable Format: numeric

Notes: UNF:6:V18/G4SUhsQLP8o9Kyu0jg==

err_loadSTP

f108441 Location:

Summary Statistics: Mean 0.030772241992882563; Min. 0.002; Valid 281.0; Max. 0.19; StDev 0.034818069174308706;

Variable Format: numeric

Notes: UNF:6:6iLMStRZ9qKIOD4EMXr55g==

heatofadsorption

f108441 Location:

Summary Statistics: Min. -12.20722; Valid 281.0; StDev 0.9874158522245224; Max. -8.21334; Mean -9.584370071174376;

Variable Format: numeric

Notes: UNF:6:8K9y7J40SlndZgfQIZayww==

name

f108441 Location:

Variable Format: character

Notes: UNF:6:7weG1sDJMaQ5it+pp+aM/w==

ext_press

f108438 Location:

Summary Statistics: Min. 7.0E-6; Mean 0.3732234545454545; Max. 0.993891; StDev 0.33478958426604793; Valid 605.0;

Variable Format: numeric

Notes: UNF:6:pNGMajrDPkushmQom8tDyQ==

temp

f108438 Location:

Summary Statistics: Max. 77.0; Min. 77.0; StDev 0.0; Valid 605.0; Mean 77.0

Variable Format: numeric

Notes: UNF:6:1J2Iq3uUNOTWPxh3nb3mgw==

exc_molPerKg

f108438 Location:

Summary Statistics: StDev 10.862503628567216; Max. 35.263; Valid 605.0; Mean 24.000153719008264; Min. 0.06;

Variable Format: numeric

Notes: UNF:6:2guI01JXWXTQlXdG7+3oTA==

exc_err_molPerKg

f108438 Location:

Summary Statistics: Valid 605.0; Max. 35.263; Min. 0.06; Mean 24.000153719008264; StDev 10.862503628567216

Variable Format: numeric

Notes: UNF:6:2guI01JXWXTQlXdG7+3oTA==

exc_loadSTP

f108438 Location:

Summary Statistics: Mean 537.9389553719009; Max. 790.382; StDev 243.4712870491179; Valid 605.0; Min. 1.349;

Variable Format: numeric

Notes: UNF:6:uYsUQrY2qklPVJYwrURWwQ==

exc_err_loadSTP

f108438 Location:

Summary Statistics: StDev 1.8383640073465315; Max. 10.967; Valid 605.0; Min. 0.071; Mean 3.198998347107438;

Variable Format: numeric

Notes: UNF:6:ywGy2UPs/enQaWsHmicuyw==

molPerKg

f108438 Location:

Summary Statistics: Max. 35.444; Valid 605.0; Min. 0.06; StDev 10.576406675851471; Mean 24.568343801652894;

Variable Format: numeric

Notes: UNF:6:EkctUofXSLlQkKp5HDksiQ==

err_molPerKg

f108438 Location:

Summary Statistics: Min. 0.06; StDev 10.576406675851471; Valid 605.0; Mean 24.568343801652894; Max. 35.444

Variable Format: numeric

Notes: UNF:6:EkctUofXSLlQkKp5HDksiQ==

loadSTP

f108438 Location:

Summary Statistics: StDev 237.05891613278206; Valid 605.0; Mean 550.6749404958678; Min. 1.349; Max. 794.437;

Variable Format: numeric

Notes: UNF:6:mmecLeoU7npK1qWD/W3DRg==

err_loadSTP

f108438 Location:

Summary Statistics: Mean 3.198998347107438; StDev 1.8383640073465315; Valid 605.0; Max. 10.967; Min. 0.071;

Variable Format: numeric

Notes: UNF:6:ywGy2UPs/enQaWsHmicuyw==

heatofadsorption

f108438 Location:

Summary Statistics: Valid 605.0; Mean -11.99949879338843; StDev 1.0947762321313732; Max. -9.1992; Min. -15.78221

Variable Format: numeric

Notes: UNF:6:5x30jmAM+hbMhS5iBrRDiQ==

name

f108438 Location:

Variable Format: character

Notes: UNF:6:P4MFCPJNE7f8ebJXeRMIEQ==

ext_press

f108349 Location:

Summary Statistics: Min. 7.0E-6; StDev 0.30797293873478376; Max. 1.00462; Valid 516.0; Mean 0.2793900930232558;

Variable Format: numeric

Notes: UNF:6:qNS2pa4J10ggSFQmn3Uosw==

temp

f108349 Location:

Summary Statistics: StDev 101.45225154583515; Mean 199.12403100775197; Valid 516.0; Max. 298.0; Min. 77.0

Variable Format: numeric

Notes: UNF:6:kISEM+BgKHa8UVU306Rzhw==

exc_molPerKg

f108349 Location:

Summary Statistics: Max. 39.681; Mean 10.590496124031008; StDev 15.184206194505734; Min. 0.0; Valid 516.0

Variable Format: numeric

Notes: UNF:6:jh7gD8WrFirzKVQ+37/3QQ==

exc_err_molPerKg

f108349 Location:

Summary Statistics: Mean 10.590496124031008; Min. 0.0; StDev 15.184206194505734; Valid 516.0; Max. 39.681

Variable Format: numeric

Notes: UNF:6:jh7gD8WrFirzKVQ+37/3QQ==

exc_loadSTP

f108349 Location:

Summary Statistics: Valid 516.0; Mean 237.37566279069773; Min. 0.01; StDev 340.33854271304824; Max. 889.402;

Variable Format: numeric

Notes: UNF:6:3VdoLdekOxy9WgzefjU+7g==

exc_err_loadSTP

f108349 Location:

Summary Statistics: Min. 0.001; StDev 1.8966782857609599; Mean 1.071296511627907; Valid 516.0; Max. 17.634

Variable Format: numeric

Notes: UNF:6:fLMNfmv80NYm01qOUHFB5w==

molPerKg

f108349 Location:

Summary Statistics: Mean 11.6631996124031; Min. 0.001; StDev 16.009212612696604; Valid 516.0; Max. 39.996

Variable Format: numeric

Notes: UNF:6:izQgRNZxkiYuuC6pqJPjUQ==

err_molPerKg

f108349 Location:

Summary Statistics: Valid 516.0; Mean 11.6631996124031; StDev 16.009212612696604; Max. 39.996; Min. 0.001

Variable Format: numeric

Notes: UNF:6:izQgRNZxkiYuuC6pqJPjUQ==

loadSTP

f108349 Location:

Summary Statistics: Min. 0.011; Valid 516.0; Max. 896.468; Mean 261.41838565891476; StDev 358.8300691447849;

Variable Format: numeric

Notes: UNF:6:BWXCXbAF2D07Y3g8tntpQQ==

err_loadSTP

f108349 Location:

Summary Statistics: StDev 1.8966782857609599; Min. 0.001; Valid 516.0; Max. 17.634; Mean 1.071296511627907;

Variable Format: numeric

Notes: UNF:6:fLMNfmv80NYm01qOUHFB5w==

heatofadsorption

f108349 Location:

Summary Statistics: Max. -8.19947; Valid 516.0; Min. -16.0639; Mean -12.191360290697675; StDev 2.290779605837387

Variable Format: numeric

Notes: UNF:6:Vo2lngMW/m87qcfEQoR86A==

name

f108349 Location:

Variable Format: character

Notes: UNF:6:eIMuL7vumZatf/+9tpM1VQ==

void_frac

f108342 Location:

Summary Statistics: Valid 21.0; StDev 0.00543234034192228; Max. 0.606964; Mean 0.5973609047619047; Min. 0.591101

Variable Format: numeric

Notes: UNF:6:Fw84hQJ5LGRcE9NBrrCstw==

void_frac_err

f108342 Location:

Summary Statistics: Mean 0.0010416190476190475; StDev 2.305147449059336E-4; Valid 21.0; Max. 0.001378; Min. 6.34E-4

Variable Format: numeric

Notes: UNF:6:tdD86q6LAOQTRi1cSglmXw==

surf_mass[m2/g]

f108342 Location:

Summary Statistics: Mean 2476.927453857143; StDev 135.9850386338345; Min. 2342.854559; Max. 2870.722038; Valid 21.0

Variable Format: numeric

Notes: UNF:6:T0IkC4mDr10h8rCy2ZVzNQ==

surf_mass_err

f108342 Location:

Summary Statistics: Valid 21.0; Min. 0.709368; Mean 1.3031512857142857; StDev 0.411447636936238; Max. 2.170073

Variable Format: numeric

Notes: UNF:6:qlr6rb1s5zwImOTvuBycpA==

surf_vol[m2/cm3]

f108342 Location:

Summary Statistics: Valid 21.0; StDev 65.35158923077276; Max. 1617.335057; Mean 1360.737941904762; Min. 1319.942335

Variable Format: numeric

Notes: UNF:6:gW5vMnETA1V7evkvhDySiQ==

surf_vol_err

f108342 Location:

Summary Statistics: Mean 0.7131796190476191; Max. 1.20465; Min. 0.39965; Valid 21.0; StDev 0.2160053152856374

Variable Format: numeric

Notes: UNF:6:fSBfOESSbj2np7A7fK1fuQ==

name

f108342 Location:

Variable Format: character

Notes: UNF:6:Vf0RUF7OBZirU3jSpk/0MA==

Diameter/A

f108365 Location:

Summary Statistics: StDev 5.774800696364988; Min. 0.006; Valid 20004.0; Max. 19.998; Mean 10.002;

Variable Format: numeric

Notes: UNF:6:sjCbyAjMaqp93RkKIH2eow==

Probability_dist

f108365 Location:

Summary Statistics: Max. 0.6099; StDev 0.22246172543388096; Mean 0.3251947010597887; Valid 20004.0; Min. 0.0;

Variable Format: numeric

Notes: UNF:6:HExspulQXKW2IG3mTbDCWw==

PSD

f108365 Location:

Summary Statistics: Max. 2.91667; Valid 20004.0; StDev 0.22454563911685987; Mean 0.05811504695260947; Min. -0.0;

Variable Format: numeric

Notes: UNF:6:CXSzJyAo8Ov8Zra7c/VThw==

framework

f108365 Location:

Variable Format: character

Notes: UNF:6:6DSgrZkrnfy5pLdhqdhDfA==

void_frac

f108406 Location:

Summary Statistics: Min. 0.591004; Mean 0.5968757575757576; Max. 0.606964; Valid 33.0; StDev 0.0050543737188096845;

Variable Format: numeric

Notes: UNF:6:s8nsWvtXEmgzHCxUc9bE9g==

void_frac_err

f108406 Location:

Summary Statistics: StDev 2.9296374788659015E-4; Mean 9.054848484848485E-4; Max. 0.001378; Min. 3.48E-4; Valid 33.0

Variable Format: numeric

Notes: UNF:6:M1r2T2X+PSPzsxlcLHV7dA==

surf_mass[m2/g]

f108406 Location:

Summary Statistics: Valid 33.0; Max. 2870.776372; StDev 145.29488038752103; Mean 2466.7700095151513; Min. 2230.201576

Variable Format: numeric

Notes: UNF:6:Sw4C6owOWEqzDJH6+hkBcQ==

surf_mass_err

f108406 Location:

Summary Statistics: Max. 2.170073; StDev 0.4039100315552042; Min. 0.540518; Valid 33.0; Mean 1.2267446363636363

Variable Format: numeric

Notes: UNF:6:FVba/EKjmKr8IxAoy8vXLQ==

surf_vol[m2/cm3]

f108406 Location:

Summary Statistics: Valid 33.0; Min. 1269.389525; Mean 1363.6576173636363; Max. 1617.368308; StDev 73.00586049595482;

Variable Format: numeric

Notes: UNF:6:ZpPPoKCj/VJxD4hJo5253Q==

surf_vol_err

f108406 Location:

Summary Statistics: Valid 33.0; StDev 0.21467869133517326; Min. 0.304523; Max. 1.20465; Mean 0.6757014848484849;

Variable Format: numeric

Notes: UNF:6:Toq+lFmxYi/Rn5h10k2bUQ==

name

f108406 Location:

Variable Format: character

Notes: UNF:6:F1Hdhg4eZDg5yshf3ICqUg==

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Jupyter notebook with the evaluation of all results from experiment and simulation.

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summarize_psds.ipynb

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Contains all pore size distributions from raspa simulations

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Structure data (cif file)

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Structure data (cif file)

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Structure data (cif file)

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Structure data (cif file)

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Structure data (cif file)

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Structure data (cif file)

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Structure data (cif file)

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Structure data (cif file)

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Structure data (cif file)

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