Name: an inverse analysis approach to the characterization of chemical transport in paints
Uploaded: 2014-08-29T15:00:00
Description: Watch this Scientific Journal Video about An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints at JoVE.com

Forfatterne takker Dr. Wes Gordon (ECBC) om støtte til instrumentets design. Dette arbejde omfatter de kumulerede resultater fra to forskningsprogrammer finansieret af Eric Lowenstein og Michael Roberts (Defense Threat Reduction Agency) under programmet CA08MSB317. De tekniske rapporter citeret heri kan fås ved henvendelse <a href="http://www.dtic.mil">http://www.dtic.mil</a> .

1. Betingelse Paint Substrater til den ønskede miljø <ol><li> Forudindstil miljøkammeret til substrat konditionering til den angivne temperatur og relativ fugtighed (20 ° C, 50%). Sørg for, at substratforhold konsekvent fastholdt, da både temperatur og vandindhold i betydelig grad kan påvirke absorption satser i materialer. </li><li> Coat 0.32 cm tyk, 5,08 cm radius rustfrit stål diske med et overfladeareal på 20,25 cm2 med et lag af maling (MIL-DTL-53039, et opløsningsmiddel-spredbar (SD) alifati...

<ol>
	<li>Willis, M. P., Mantooth, B. A., Lalain, T. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=Novel+Methodology+for+the+Estimation+of+Chemical+Warfare+Agent+Mass+Transport+Dynamics,+Part+II:+Absorption.">Novel Methodology for the Estimation of Chemical Warfare Agent Mass Transport Dynamics, Part II: Absorption.</a> J. Phys. Chem. C. 116, 546-554 (2011).</li><li>Felder, R. M. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=Estimation+of+Gas+Transport-Coefficients+from+Differential+Permeation,+Integral+Permeation,+and+Sorption+Rate+Data.">Estimation of Gas Transport-Coefficients from Differential Permeation, Integral Permeation, and Sorption Rate Data.</a> J. Membr. Sci. 3, 15-27 (1978).</li><li>Taviera, P., Mendes, A., Costa, C. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=On+the+Determination+of+Diffusivity+and+Sorption+Coefficients+Using+Different+Time-lag+Models.">On the Determination of Diffusivity and Sorption Coefficients Using Different Time-lag Models.</a> J. Membr. Sci. 221, 123-133 (2003).</li><li>Willis, M. P., Gordon, W. O., Lalain, T. A., Mantooth, B. A. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=Characterization+of+Chemical+Agent+Transport+in+Paints.">Characterization of Chemical Agent Transport in Paints.</a> J. Hazard Mater. 260, 907-913 (2013).</li><li>Lalain, T., Mantooth, B., Shue, M., Pusey, S., Wylie, D. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=.">.</a> The Chemical Contaminant and Decontaminant Test Methodology Source Document. Second Edition. Report No. ECBC-TR-980. , (2011).</li><li>. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=.">.</a> MIL-DTL-53039B: Coating Aliphatic Polyurethane, Single Component, Chemical Agent Resistant. , (2005).</li><li>Shue, M., et al. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=.">.</a> Low-Level Analytical Methodology Updates to Support Decontaminant Performance Evaluations. Report No. ECBC-TR-883. , (2011).</li><li>Schwope, A. D., Klein, J. M., Sidman, K. R., Reid, R. C. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=Sorption-Desorption+Phenomena+of+Chemicals+from+Polymer+(Paint)+Films.">Sorption-Desorption Phenomena of Chemicals from Polymer (Paint) Films.</a> J. Hazard. Mater. 13, 353-367 (1986).</li><li>Li, F., Niu, J. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=Control+of+Volatile+Organic+Compounds+Indoors+-+Development+of+an+Integrated+Mass-Transfer-Based+Model+and+Its+Application.">Control of Volatile Organic Compounds Indoors - Development of an Integrated Mass-Transfer-Based Model and Its Application.</a> Atmos. Environ. 41, 2344-2354 (2007).</li><li>Li, F., Niu, J., Zhang, L. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=A+Physically-Based+Model+for+Prediction+of+VOCs+Emissions+from+Paint+Applied+to+an+Absorptive+Substrate.">A Physically-Based Model for Prediction of VOCs Emissions from Paint Applied to an Absorptive Substrate.</a> Build. Environ. 41, 1317-1325 (2006).</li><li>Li, F., Niu, J. L. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=Simultaneous+Estimation+of+VOCs+Diffusion+and+Partition+Coefficients+in+Building+Materials+via+Inverse+Analysis.">Simultaneous Estimation of VOCs Diffusion and Partition Coefficients in Building Materials via Inverse Analysis.</a> Build. Environ. 40, 1366-1374 (2005).</li><li>Li, F., Niu, J. L. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=An+Inverse+Technique+to+Determine+Volatile+Organic+Compounds+Diffusion+and+Partition+Coefficients+in+Dry+Building+Material.">An Inverse Technique to Determine Volatile Organic Compounds Diffusion and Partition Coefficients in Dry Building Material.</a> Heat and Mass Transfer. 41, 834-842 (2005).</li><li>Li, F., Niu, J. L. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=An+Inverse+Approach+for+Estimating+the+Initial+Distribution+of+Volatile+Organic+Compounds+in+Dry+Building+Material.">An Inverse Approach for Estimating the Initial Distribution of Volatile Organic Compounds in Dry Building Material.</a> Atmos. Environ. 39, 1447-1455 (2005).</li><li>Vesely, D. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=Diffusion+of+Liquids+in+Polymers.">Diffusion of Liquids in Polymers.</a> Int. Mater. Rev. 53, 299-315 (2008).</li><li>Goossens, E. L. J., van der Zanden, A. J. J., Wijen, H. L. M., van der Spoel, W. H. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=The+Measurement+of+the+Diffusion+Coefficient+of+Water+in+Paints+and+Polymers+from+Their+Swelling+by+Using+an+Interferometric+Technique.">The Measurement of the Diffusion Coefficient of Water in Paints and Polymers from Their Swelling by Using an Interferometric Technique.</a> Prog. Org. Coat. 48, 112-117 (2003).</li><li>Arya, R. K., Vinjamur, M. <a target="_blank" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=PubMed&cmd=Search&doptcmdl=Citation&defaultField=Title+Word&term=Measurement+of+Concentration+Profiles+Using+Confocal+Raman+Spectroscopy+in+Multicomponent+Polymeric+Coatings-Model+Validation.">Measurement of Concentration Profiles Using Confocal Raman Spectroscopy in Multicomponent Polymeric Coatings-Model Validation.</a> J. Appl. Polym. Sci. 128, 3906-3918 (2013).</li></ol>

Massetransport parametre for HD og VX i malingen blev bestemt via numerisk inverse analyse af dampe emissionsdata. Med beregnede parametre, var det muligt at så producerer tidsafhængige koncentration gradient kort til kontaminant fordeling i malingen. Inverse analyseresultaterne viste, at opløseligheden af ​​HD i SD malingen var højere end VX, men diffusivitet ca. 5x lavere. Resultaterne tyder på, at forureningen HD var stærkt koncentreret på overfladen af ​​belægningen, mens VX kontaminering profil træ...

De massetransport mekanismer forbundet med forurening af materialer ved hjælp af kemiske kampstoffer er drevet af en række foldet processer, herunder fysiske tilstandsovergange, kemiske vekselvirkninger mellem mobile arter og materialer grænseflader. At udvikle effektive dekontaminering teknologier, optimerede procedurer for dekontaminering og prognosemodeller, er det afgørende, at processen forureningen er velkendt, herunder transport af forurenende stoffer i materialer via absorption og efterfølgende kemisk udslip tilbage i miljøet. Det er derfor bydende nødvendigt, at tilgange udviklet, der kan evaluere undergrunden koncentrationsprofiler for forurenende-materiale par som en funktion af miljømæssige forhold. Et kontinuum skala blev fysik-baserede model udviklet til at forudsige koncentrationen fordeling af absorberet agent i en forurenet substrat. Eksperimentelt afledte masse transport parametre gør det muligt forudsigelse af than damp emission fra forurenet materiale efter dekontaminering. En evne til at forudsige den koncentration, distribution i et materiale kan lette vurderingen af potentielle dampe farer og til gengæld give præcise diagnoser af toksikologiske farer 1. Denne fremgangsmåde giver mulighed for en vurdering af forurenende-materiale pair specifikke masse transport parametre såsom diffusiviteten og mætningskoncentration, som til gengæld tillader modellering for et andre scenarier og betingelser. I denne undersøgelse har vi behandlet fase forurening af opløsningsmiddel-spredt, polyurethan maling belægninger væske med kemiske kampstoffer bis (2-chlorethyl) sulfid (destilleret sennep, blister agent HD) og O-ethyl S - [2 (diisopropylamino) ethyl] methylphosphonothioate (VX), et organophosphat nervegas. Den udviklede metode karakteriserer gas desorptionsdata profiler fra forurenede materialer, herunder kemiske kampmidler som HD og VX, udenmange af de begrænsninger i andre tilgange 2,3. Tidsopløste massespektrometri målinger af forurenende evolution fra forurenede substrater mulighed for en diffusionstransport model med invers analyse for at beregne masse transport parametrene for forurenende stof i materialet, herunder den absorberede koncentration profil for urenheden regnet fra den oprindelige gennemtrængning begivenhed. Med etableringen af ​​en prædiktiv evne for afgrænsningen koncentrationsprofilerne af forurenende stoffer i materialer som funktion af miljømæssige forhold kommer evnen til at vurdere toksikologiske farer og i sidste ende udvikle ruter til effektiv dekontaminering. I dette papir, er de oplysninger, der er forbundet med prøveforberedelse præsenteret, herunder arbejde med kemisk krigsførelse agent forureninger samt eksperimentelle dataindsamling fra kontaminerede materialer og efterfølgende modellering 4. Eksperimentelle kørsler blev udført som described i den kemiske forurenende og dekontaminant kildedokumentet 5 og vil blive diskuteret i næste afsnit. Et flowdiagram til forberedelse og analyse prøve skridt medtaget i figur 1.

<table border="0" cellpadding="0" cellspacing="0" width="646">
	<tbody>
		<tr height="42">
			<td height="42" style="height:42px;width:203px;">Name of Material/Equipment</td>
			<td style="width:101px;">Company</td>
			<td style="width:97px;">Catalog Number</td>
			<td style="width:245px;">Comments/Description</td>
		</tr>
		<tr height="63">
			<td height="63" style="height:63px;width:203px;">Stainless Steel Tray</td>
			<td style="width:101px;">McMaster Carr</td>
			<td style="width:97px;">4189T1</td>
			<td style="width:245px;">13-5/8&#34; L x 9-3/4&#34; W, http://www.mcmaster.com/#stainless-steel-trays/=p8dcgp</td>
		</tr>
		<tr height="67">
			<td height="67" style="height:67px;width:203px;">MIL-DTL-53039 solvent-dispersible aliphatic polyurethane coating system</td>
			<td style="width:101px;"></td>
			<td style="width:97px;"></td>
			<td style="width:245px;">Substrates supplied by internal source</td>
		</tr>
		<tr height="63">
			<td height="63" style="height:63px;width:203px;">Environmental Chamber</td>
			<td style="width:101px;"></td>
			<td style="width:97px;"></td>
			<td style="width:245px;">Custom Design. Full details on vacuum chamber specifications and materials included in reference 4.</td>
		</tr>
		<tr height="33">
			<td height="33" style="height:33px;width:203px;">bis(2-chloroethyl) sulfide</td>
			<td style="width:101px;">CASARM</td>
			<td style="width:97px;"></td>
			<td style="width:245px;">TOXIC</td>
		</tr>
		<tr height="65">
			<td height="65" style="height:65px;width:203px;">O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioate</td>
			<td style="width:101px;">CASARM</td>
			<td style="width:97px;"></td>
			<td style="width:245px;">TOXIC</td>
		</tr>
		<tr height="49">
			<td height="49" style="height:49px;width:203px;">Pipetter</td>
			<td style="width:101px;">Fisher Scientific</td>
			<td>22260201</td>
			<td style="width:245px;">Range of 1.0 &#181;L to 10 mL</td>
		</tr>
		<tr height="42">
			<td height="42" style="height:42px;width:203px;">Pipetter Tips</td>
			<td style="width:101px;">Fisher Scientific</td>
			<td style="width:97px;">13-683-709</td>
			<td style="width:245px;">0.1 mL Volume</td>
		</tr>
		<tr height="44">
			<td height="44" style="height:44px;width:203px;">Stainless Steel High Vacuum Experimental Chamber</td>
			<td style="width:101px;"></td>
			<td style="width:97px;"></td>
			<td style="width:245px;">Custom Design</td>
		</tr>
		<tr height="42">
			<td height="42" style="height:42px;width:203px;">Quadrupole Mass Spectrometer</td>
			<td style="width:101px;">ExTorr</td>
			<td style="width:97px;">RGA300</td>
			<td style="width:245px;"></td>
		</tr>
		<tr height="42">
			<td height="42" style="height:42px;width:203px;">Stainless Steel Tweezers</td>
			<td style="width:101px;">McMaster Carr</td>
			<td style="width:97px;">5516A15</td>
			<td style="width:245px;">Any stainless steel tweezers are appropriate.</td>
		</tr>
		<tr height="84">
			<td height="84" style="height:84px;width:203px;">Glass Extraction Jar</td>
			<td style="width:101px;">Scientific Specialties</td>
			<td style="width:97px;">170808</td>
			<td style="width:245px;">Jar fits a ~5 cm diameter substrate.&#160; Different glass jars with teflon lined lids are appropriate for different sized substrates.</td>
		</tr>
		<tr height="63">
			<td height="63" style="height:63px;width:203px;">Chloroform</td>
			<td style="width:101px;">Sigma-Aldrich</td>
			<td style="width:97px;">650498</td>
			<td style="width:245px;">HARMFUL.&#160; The extraction solvent for HD may change depending on the analytical method.</td>
		</tr>
		<tr height="63">
			<td height="63" style="height:63px;width:203px;">Isopropanol</td>
			<td style="width:101px;">Sigma-Aldrich</td>
			<td style="width:97px;">650447</td>
			<td style="width:245px;">HARMFUL.&#160; The extraction solvent for VX may change depending on the analytical method.</td>
		</tr>
		<tr height="21">
			<td height="21" style="height:21px;width:203px;">Pasteur Pipette</td>
			<td style="width:101px;">VWR</td>
			<td style="width:97px;">14673-010</td>
			<td style="width:245px;">size= 5 3/4&#34;</td>
		</tr>
	</tbody>
</table>

an inverse analysis approach to the characterization of chemical transport in paints

Evnen til direkte karakterisere kemisk transport og samspil, der opstår inden for et materiale (dvs. underjordiske dynamik) er en vital komponent i forståelsen af forurenende massetransport og evnen til at rense materialer. Hvis et materiale er forurenet med tiden, kan transport af meget giftige kemikalier (såsom kemisk krigsførelse agent arter) ud af materialet resulterer i eksponering damp eller overføres til huden, hvilket kan resultere i perkutan eksponering til personale, som interagerer med materiale. På grund af den høje toksicitet af kemiske kampmidler, frigivelse af spor kemiske størrelser er af væsentlig bekymring. Kortlægning undergrunden koncentration distribution og transport egenskaber absorberede midler gør det muligt for farer for eksponering skal vurderes i uprøvede forhold. Desuden kan disse værktøjer anvendes til at karakterisere undergrunden reaktionsdynamik til i sidste ende at designe forbedrede dekontaminanter eller rensningsprocesser. To nå dette mål, var en omvendt analyse stoftransport modellering tilgang, der udnytter tidsopløste massespektroskopi målinger af damp emission fra forurenet maling belægninger som input parameter for beregning af undergrunden koncentrationsprofiler. Oplysninger findes på prøveforberedelse, herunder forurenende og materialehåndtering, anvendelsen af ​​massespektrometri til måling af emitteret forurenende dampe, og implementeringen af ​​inverse analyse under anvendelse af en fysik-baseret diffusion modellen til at bestemme transport egenskaber af levende kemiske kampstoffer herunder destilleret sennep (HD) og nervegas VX.

Den øverste panel af figur 3 viser eksempler på den beregnede masse flux af VX og HD fra SD-malede substrater baseret på tid-løst massespektrometri for de vigtigste masse fragmenter af VX og HD (masse-til-ladning, m / z = 114 og 109, henholdsvis). En kvadrupolmassespektrometer har tre hovedkomponenter: en ionisator, en masseanalysator eller filter, og et gebyr detektor. Gas arter ioniseres via electron impact ionisering (varm glødetråd stil elektronkilde), og de producerede ioner...

Watch this Scientific Journal Video about An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints at JoVE.com

An Inverse Analysis Approach to the Characterization of Chemical Transport in Paints

En omvendt analyse tilgang til karakterisering af kemiske Transport i Maling

I dette papir, er en procedure til at kvantificere massetransport parametre for kemikalier i forskellige materialer præsenteres. Denne proces indebærer at ansætte en omvendt-analyse baseret diffusion model til damp emissionsprofiler indspillet af real-tid, massespektrometri i højt vakuum.

The ability to directly characterize chemical transport and interactions that occur within a material (i.e., subsurface dynamics) is a vital component in ...

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