United States
               Environmental Protection
               Agency
Atmospheric Research and Exposure
Assesment Laboratory
Research Triangle Park NC 27711
               Research and Development
EPA/600/S3-90/055  Aug. 1990
EPA       Project Summary
               Evaluation  of  an Anion  Exchange
               Resin  for Sampling Ambient
               Level  Phenolic  Compounds
               Marcia Nishioka and Hazel Burkholder
                  The determination of human expo-
               sure to polar volatile and semivolatile
               organic compounds Is an area of in-
               creasing importance to EPA. Since the
               bioavailability of many polar compounds
               is greater than for relatively non-polar
               compounds, methods are  needed for
               the selective sampling and analysis of
               these types of compounds. The sorbent
               sampler described in this report pro-
               vides a new capability of sampling for
               acidic and phenolic vapor phase  or-
               ganic compounds.
                  The currently available method for
               collection of vapor phase phenol and
               methyl-phenols, as described in EPA's
               Ambient Air Method  TO-8, involves
               aqueous sodium hydroxide impinger
               collection. Solution sampling is, in gen-
               eral, not practical for field sampling at
               remote sites; in addition, this impinger
               method has not been evaluated for col-
               lection of chemically diverse and more
               toxic  phenolic species such  as the
               chloro- and  nitro-phenols nor  has it
               been shown sensitive enough for deter-
               minations at trace  ambient  levels.
               Based upon these considerations, the
               alternative method developed here uti-
               lizing  solid  sorbent based sampling
               may prove preferable to liquid based
               Impinger methods.
                  The program described herฎ was
               designed for evaluation of a solid sor-
               bent, the an ion exchange resin AG MP-
               1, for selective collection and retention
               of vapor phase phenolic compounds.
               The primary goal of the program was
               development of sampling and analysis
               conditions which would permit detec-
tion and quantification of diverse phe-
nolic and hydroxylated species at am-
bient levels of 1 ppbv. Phenols (and
other acid ic compounds) are retained on
AG MP-1 by formation of a chemical
bond; the reaction Is reversed to liberate
the phenols from the sorbent prior to
analysis. Because of the dominant con-
cern about collection and recovery, in-
vestigations here centered upon those
parameters which affect the formation of
the initial chemical bond between phe-
nolic analyte and  sorbent and those
procedures that allow subsequent re-
versal of these reactions for quantitative
recovery of analytes.
    Average recoveries of 89% (82-101 %)
were measured for 1 jig quantities of 13
chemically-diverse  phenolic  com-
pounds that were spiked into a heated
gas stream, sampled at 100 mL/min
through AG MP-1, extracted from the AG
MP-1, and concentrated prior to analy-
sis.  Recovery of a solution  spike of
these analytes to AG MP-1 without sub-
sequent gas sampling averaged 85% (76-
104%).  Because recoveries from the two
spiking experiments were comparable,
it was concluded that vapor phase  col-
lection  was essentially quantitative.
    This Project Summary was prepared
by the EPA's Atmospheric Research
and Exposure Assessment Laboratory,
Research Triangle Park, NC, to announce
key findings of the research project that
is fully documented In a separate report
of the  same title (see Project Report
ordering Information at back).

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 Introduction
     The currently available method for col-
 loclion of vapor phase phenol and methyl-
 phenols involves aqueous sodium hydrox-
 ide imptnger collection. Solution sampling
 is, In general, not practical forfield sampling
 at remote sites;  in addition, this impinger
 method  has not been evaluated for collec-
 tion of chemically diverse and more toxic
 phenolic species such as the chloro- and
 nitro-phenols.  Sorbent based  sampling
 methods are preferable to impinger meth-
 ods.  As an alternative to the impinger
 method, PUF (polyurethane foam)-Tenax-
 PUFsandwtch sorbent cartridges have been
 evaluated recently for the collection of va-
 porphase chforo-phenols. Whilethis method
 provides high collection efficiencies for the
 tetra- and  pentachlorophenols, mono-
 chtoro-phenols are not retained.  These
 collection differences suggest that phenol
 and mono-functional phenols (e.g. methyl-
 phenols, nitro-phenols) also will not be re-
 tained by this sorbent.
     The program described here was de-
 signed for evaluation of a solid sorbent, the
 anion exchange resin AG MP-1, for selec-
 tive collection and retentbn of vapor phase
 phenolic compounds. The primary goal of
 the program was development of sampling
 and analysis conditions which would permit
 detection and quantification of diverse phe-
 nolic and hydroxylated species at ambient
 levels of  1 ppbv. The program also included
 1) the development of methods for remov-
 ing potential neutralinterferencecompounds
 whteh could be retained by adsorption to the
 sorbent polymer backbone, 2) evaluation of
 stability of sorbent-bound analytes during
 prolonged storage,  and 3) stability of sor-
 benl-bound  analytes  toward  nitration by
 ambient  HNO3.  In addition, the program
 included preliminary field sampling evalua-
 tion of the sorbent.  Field collection was
 carried out attwo sites in northern Delaware;
 three additional samples were collected in
 the Columbus, Ohio area.
    Anton exchange  resins/sorbents are
 typically suspended in aqueous or organic
 mediaforchromatographicseparations. For
 the strongly basic anion exchange resins,
 such as AG MP-1, the charge isfixed by the
 structure of the resin;  positively charged
 quaternary amine groups are chemically
 bound to a styrene divinylbenzene lattice;
 the negatively charged counterion to the
 amlne can be exchanged. The quaternary
 amlne retains its charge whether or not the
 resin is suspended in solution. AG MP-1,
 available from Bfo-Rad Laboratories, is a
 macroporous strong anion exchange resin.
 Because  of the highly crosslinked and rela-
tively rigid styrene  divinylbenzene back-
bone, AG MP-1 does not shrink or  swell
 excessively during extraction of analytes
 with solvents and is not crushed  easily
 during sampling and handling.  The high
 degree of porosity allows retention of larger,
 less polar organic acids and phenols so as
 to increase contact time for formation of the
 chemical bond between analyte and qua-
 ternary amine. AG MP-1  is similar to the
 XAD-2 resins in physical properties such as
 ease of handling, mechanical strength, and
 color.
     For sorbent sampling  based upon ad-
 sorption, as with XAD-2, collection and re-
 tention are both described by  chromato-
 graphic theory, the dominant factor being
 partition of analyte between gas and solid
 phase. Forthe anion exchange resin evalu-
 ated here, collection and retention are two
 separate issues. Phenols (and other acidic
 compounds) are retained on AG MP-1  by
 formation of achemical bond;the reaction is
 reversed to liberate the phenols from the
 sorbent prior to analysis.  Schematic rep-
 resentation of these steps  is shown in Fig-
 ure  1.

 Experimental

     For experiments conducted  on this
 program, AG MP-1 was converted from the
 manufacturer-supplied CI"  form to the OH'
 form to obtain the strongest possible aque-
 ous base (OH-) for exchange. The OH" on
 the resin will readily abstract a proton from
 phenolic and acidic organic analytes and
 thus effect attachment of an analyte anion
 to the quaternary amine  exchange  site.
 Analyte anions are displaced from the resin
 later by application of an  acid of  greater
 strength than the analytes, in this case 2%
 cone. HCI in 15:85 (v:v)  methanolrmethyl-
 t-buty I ether. Under these conditions the Cr
 form of the resin is generated and the or-
 ganic analyte is regenerated as a neutral
 molecule.   Because formation  of the
 chemical bond ensures retention of analytes,
 retention is the lesser important of the two
 considerations.  Phenols will be retained
 unless sampling occurs in atmospheres of
 very high HNO,  concentrations (or other
 acid whose pKa is less than that of the
 phenols of interest) where  HNO3 may ei-
 ther displace phenols from the sorbent or
 nitrate the phenols and, thus, form artifacts.
 Because of the dominant  concern about
 collection, investigations here have  cen-
 tered upon those parameters which affect
 the formation of the initial  chemical bond
 between phenolic analyte and sorbent.
    The target level for phenols in these
 laboratory experiments was 1 u.g for each
 analyte.  The  1 _u.g level  represents the
 average quantityforphenols which, if present
 at 1  ppbv in the atmosphere,  would be
collected during a 24 hr period when sam-
pling at 100 mL/min with 100% collection
 efficiency at ambienttemperature and pres-
 sure.  For phenols of interest, the quantity
 collected covers a  range from 0.5 \ig for
 phenol to  1.5 u.g for pentachlorophenol.
 The target level for analysis in these labora-
 tory experiments has been 1 ng/u.L.  This
 quantification level is required for the analy-
 sis of the 1  u,g spike quantities when fully
 recovered and concentrated to a 1 mL vol-
 ume.
     After collection and  prior to analysis,
 phenols are subjected to two  extraction
 procedures: extraction from AG MP-1 with
 an acidified solvent (HCI in methanol/methy I-
 t-butyl ether) and then extraction from that
 acidified sorbent eluate into a neutral sol-
 vent.  The experimental  plan for the pro-
 gram involved, in sequence: (1) develop-
 ment and evaluation of  GC and GC/MS
 analysis conditions; (2) evaluation of
 methods to  extract phenols from acidified
 sorbent eluate; (3) evaluation of methods to
 extract phenols (and neutral compounds)
 from sorbent; (4) evaluation of parameters
 which affect  collection  of vapor phase
 phenols, and finally; (5)  analysis of field-
 collected samples.
     Thefollowing experimental procedures
 for (both laboratory and  field work)  were
 developed in this program:

   •  Preparation and storage of standard
     analyte mixtures
   •  Activation and storage of resin
   •  Analysis methods
     a. GC/FID for laboratory tests at high
       levels
     b. GC/ECD for laboratory tests for low
       levels of nitro- and chloro-phenols
    c. GC/FID for neutral interference
       compounds
    d. GC/MS for field collected samples

   •  Extraction  of phenols from acidic
    methanol:methyl-t-butyl ether
   • Extraction of phenols from AG MP-1
   •  Extraction of neutral interference com
    pounds from AG MP-1
   • Method  for  vapor   spike  and
    simulatedsampling of phenols
   • Method for evaluating stability of sor-
    bent bound phenols
    a. Stability during one-month storage
    b. Stability toward HNO3

   • Collection of field samples
    a. preparation of sorbent tubes
    b. collection of field samples
    c. extraction and analysis

    The  many and varied exploratory ex-
periments performed to develop this new
methodology cannot be discussed in detail
in this summary; procedures are presented
in detail in the complete report.

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                        Retention and Elution of Phenols from AG MP-1
        Initial Conditions:
     AG MP-1 Suspended in
        Solvent in Open
    Chromatography Column
        or Dry in Sorbent
        Sampling Tube
\
       N+ OH-
       N + OH"
       N+ OH-
Attach Phenol
 to AG MP-1
       OH
                                           Eluted Material:

                                              HaO
                                              Neutral Molecules
                                              Basic Molecules
                                                                              Remove Phenol
                                                                               From AG MP-1
                                      HCI/Methanol
                                                                               \/
                                                                                  N+ cr
                                          \
                                                                                  N+  cr
                                                                                  N+  cr
                                                                                       \
                                  Eluted material:

                                    HO —

                                      Excess HCI
                                      Methanol
Figure 1.  Schematic representation of collection of phenols with AG MP-1 and subsequent elution.

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Results and Discussions
    Detailed presentations of results and
relevant discussion  are  given in the full
report for each laboratory and field experi-
ment. Forthis summary, only highlights are
presented for selected collection/recovery
experiments; these  are representative of
the overall effort.
    The  parameter tests resulted  in a
nominally optimized procedure forsampling
vapor phase phenolic compounds and
subsequently  extracting them   quantita-
tively. This is a laboratory experiment per-
formed under the best conditions using a
clean helium carrier gas. To control for any
matrix effects during subsequent experi-
ments with ambient airrnatrices, this method
was used for  pre-spiking  sorbent tubes
with deuterated phenolic compounds to
further test recoveries. The optimized con-
figuration of mesh size (200-400), flow rate
(100 ml/min), and linear velocity (1.75 cm/
sec) resulted in the recovery data presented
In Table 1 for 13 phenolic compounds rep-
resenting phenol and methyl phenols, chlo-
rophenols, nitrophenols and related com-
pounds.
    Table 2 presents recovery  data for
deuterated compounds  after real  field
sampling, both for compounds spiked prior
to Jieldsampllng and forlaboratory recovery
standards.  These  representative results
indicate that overall recoveries are more
scattered than for the laboratory tests and
that some of this scatter  could be caused
by the laboratory recovery procedure.
    Based upon results from all of the labo-
ratory tests, sorbent mesh size and super-
ficial linear  sampling velocity were those
parameters which affected  collection effi-
ciency most dramatically.  Sampling was
most efficient with the 200-400  mesh AG
MP-1 (particle diameter range of 38-75 u.m)
at a linear velocity of 1.75 cm/sec. Field-
collected samples showed that  neutral
species such as aliphatic and aromatic hy-
drocarbons were retained by this sorbent in
addition to the phenolic and  acidic species.
For this reason, extraction  methods were
developed forselective extraction of neutral
species priorto extraction of phenols. These
methods were developed for neutral specie
levels 1000 times greater than anticipated
phenol levels and resulted  in greater than
90% recovery of spiked neutral species.

Recommendations
    Based  on the results  of this study,
sampling at 100 mL/min for vapor phase
phenols may be applied best to air heavily
impacted by specific  emission/pollution
sources. The method evaluated here may
not provide sufficient sensitivity for  ambient
levels  less  than 1  ppbv.  Therefore, the
recommendations listed  here are divided
into two categories, those  specific to the
further evaluation and development of the
sorbent sampler described  here and those
specif ic to development of a similar AG MP-
1 based sampler compatible with higher
sampling rates.  It is recommended that
further study of the following areas be per-
formed:
Existing Method:
  - Evaluation of the  retention of vapor
    phase phenols by  acid-washed glass
    fiber and quartz fiber filters.
  - Evaluation of the components of labo-
    ratory AG  MP-1 method blanks, with
    particular emphasis on phenolic and
    acidic species.
  - Evaluation of extraction  procedures
    which ensure complete recovery of
    phenolic/acidic analytes following ex-
    tended (12-24 hr) sampling periods at
    100 mL/min.
  - Evaluation of the collection efficiency
    of AG MP-1 sorbent for phenols from
    very dilute gas streams.
  - Further  evaluation of stability  of
    phenols and extraction efficiency from
    AG MP-1 following storage.
  - Furtherevaluationofstabilityofphenols
    toward ambient levels of nitrating gases.

New Sampler (higher sampling
rates):
  - Development of an AG MP-1  based
    sorbent sampler for operation at 1 -2 L/
    min and at 10-100 L/min to increase
    sensitivity.
  - Development of an AG MP-1  based
    passive sampler with nominal sam-
    pling  rate  of 80-100 mL/min for fast
    sampling  without  electrical require-
    ments.
  - Evaluation of the anion exchange
    membrane AG 1-X8  (available from
    Bio-Rad; 90% AG 1, chemically similar
 Table 1, Recovery of Phenols after Vapor Spike: 200-400 Mesh AG MP-1; 1 u.g Phenol
         100 mL/min Sampling Hate; 11 mm I.D.  Sorbent Tuba.
Analyte

Phenol
2-CH3-phenol
4-CH,-phenol
2,3-diCrVphenol
2-CI-phenol
4-CI-pheno!
2,4-diCI-phenol
Pentad-phenol
2-NO2-phenol
3-NO,-phenol
6-CH3-2-NO-phenol
2-OH-benzafdehyde
2-OH-biphenyl
  % Recovery

       91
       87
       92
       82
       85
       89
       92
       82
       82
       99
       92
      101
       86
     DM)(a)

      1
      1
      8
      2
      5
      2
      2
      (b)
      (b)
      5
      2
      7
      2
 (a)  n - 2; % deviation from the mean.
 (b)  Single analysis; analyte recoveries were 33% and 6% in 2nd sorbent extract for 2-NO2-phenol and pentad-phenol, respectively.

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Table 2. Recovery ofDeuterated Compounds from Columbus, Ohio Collected Samples.

Sample Designation                                                    % Recovery
Municipal Bus Garage
Municipal Compost Facility
Lab Blank
                               Phenol-
103
 98
 69
                                         Field Recovery Standard
                                        	20  ng
               4-NO.,
80
39
47
                                                       Lab Recovery Standard
                                                      	5 ua
             2,4-diCI-
                                              phenol-d 4       phenol-d.
100
 68
 89
              4-CH3-
             phenol-d
108
104
 90
               2-N02-
              phenol-d
120
 42
 66
  2-CI-
phenol-d 4


   106
    91
    62
    to  AG MP-1,  incorporated  into a
    polytetrafluoroethylene  matrix) as an
    inlet filter on canisters or Tenax sam-
    plers.
    Evaluation of the anion  exchange
    membrane AG 1-X8 as the inner sur-
    face of an anular denuder sampling
    system for determining phase distribu-
    tion for the less volatile phenolic com-
    pounds.
        Conclusions
            The newly developed method for the
        determination of ambient phenolic com-
        pounds was successfully optimized and
        laboratory tested.  Representative com-
        pounds exhibit  an  average collection/re-
        covery of 89% for 1 |j.g quantities sampled at
        100 ml/min through the  anion exchange
        sorbent AG MP-1. The method is a viable
                                approach for trace-level determination of
                                ambient phenolic compounds. Parameter
                                testing  and use of deuterated  recovery
                                standards indicate that further work is, nec-
                                essary to optimize sensitivity via sampler
                                development  (sorbent tube and  pump-
                                systems), and to further develop and opti-
                                mize laboratory extraction procedures.

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Ware/a Nishhka and Hazel Burkholder are with Battelle Columbus Laboratories,
  Columbus, OH 43201.
Joachim D. Ptell is the EPA Project Officer (see below).
Tha complete report, entitled "Evaluation of an Anion Exchange Resin for Sampling
  Ambient Level Phenolic Compounds," (Order no. PB90 246 091 AS; Cost:
  $23.00 cost  subject to change)  will be available only from:
        National Technical Information Service
        5285 Port Royal Road
        Springfield, VA 22161
        Telephone: 703-487-4650
The EPA Project Officer can be contacted at:
        Atmospheric Research and Exposure  Assessment Laboratory
        U.S. Environmental Protection Agency
        Research Triangle Park, NC 27711
United States
Environmental Protection
Agency
Center for Environmental Research
Information
Cincinnati, OH 45268
  Official Business
  Penalty for Private Use $300

  EPA/600/S3-90/055

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