B,A,T (u,K, AExport) Ltd,, Research A Oevelopwnt Centre, SOUTHAMPTON, PKS/RA/I1Q COMFUTER MMOEL PREDICTIONS OF PUFF-BV-PUFF CIPET~ BEHAVIOUR ~· INFLUENCEO BY FILTER VEHTI1ATION LEVELS REPORT NO, T,1BO 22.6,1987 AUTHOR: P,K, Sandhu SECTION LEADER: D,P, Robfnson ISSUED BY: R,R, Baker DISTRIBUTION: Dr, R, Blnns Copy No, 1 Mr, A,L, Heard I Y 2 Mr, M,l, Reynolds " " 3,4 Or, P,J, Ounn I 1 5 Dr, S,R, Massey I 1 6 Mr, R,G, Nicholls ' 7, 8 Herr E, Rlttershaus Y I g Or, E, Kausch " 10 Dr, C,J,P, de Sipue~ra 11 Mr, H,V, Thomsen " " 12 Mr, R.F, Gilderdale w Y 13 library " Y 1QI 15 tOPr HO, $ g ion u.r Iv.r id Eual Lrmd. thu nwn nuu Ior k eopld or ~ lo uonlJmul omPu. I G - I .., ---· Clit; PDF -!::!!::!!::!.f3 StlC.i: 0111 9.A,T (U,K. a Exporti Ltd,, 3esearch ~ Development ien;rs, SOUMAMPION. PKS/RA/11Q 22nd dune, 1987 COMPUTER HOOEL PREDICTIONS O~ PUFF-BY-PUFF CI~RE~IE BEHAVTOUR AS INFLUENCED BY FILTER VENTILATION LEVELS REPORT NO, T,18O SUMWIRY The DELIVER cigarette design model has been used to predict puff·by·puff filter ventilation levels and mainstream carbon monoxide deliveries for a range of filter ventilation levels (0·30:), In order to assess the validity and range of application of the aoce~ these predicted values have been comoared with role recent experimental data published in the open literature. OEiiYia agreed closely witn the trends in the experimental data in that the relative influence of the different filter ventilation levels on lit ventilation and delivery was amrately predicted, Furtheaore, the absolute values of the put f-by·puff fi Irer venti lati on levels and carbon monoxide deliveries was also reproducedl This agreement is hignlignted ?y the puff·by-puff comparison Leaeen the lit and unlit ventilation for both the experimental and predicted data, Bath sets of data snowed that the largert increase in filter ventilation of the lit cigarette, relative to that of the unlit cigarette, occurred on or around the second or third puff, ~he relative order of these increases for each level of filter ventilation was the same for both sets of data. ~ lnl a r,r II L lnO Elwnl L~nd thll sFn ~o na k coped w Jom to rolubm#l pnons ~U .....·.,..., -·-.· · C: I i I; PDF -!::!!::!!::!.f3 StlC.i: 0111 This agreement indicates that the complex physical and chemical mechanisms and their interaction that control the delivery characteristics of the burning cigarette are being realistically represented In the DELIVER model, KEY WOROS Cigarette Ventilation Carbon lonoxide Computer Simulation Pressure Drop Mathematical Models Cigarette Deliveries -ii· O ~utf I ~ T IC.I w IIRnlL~nm thll IlpM mug Iol b m~d o~ I~n to un~~honwd pr;onl. ~ C: I i I; PDF -!::!!::!!::!.f3 StlC.i: 0111 I, INfROOUCTION The ventilation of a filter cigarette is an important factor in controlling the delivery of swte components through the tobacco rod and the filter, Numerous studies have been conducted both within 9AT (1·6), and elsewhere (7-11), in which the influence of ventilation on delivery has Seen evaluated, In many of these studies the unlit cigarette ventilation has been related to the overall delivery, However, it is widely relognised that the filter ventilation increases when the lit cigarette is lit and this changes on a puff·by- puff basis (3, 4) and as a canrepuence will influence the delivery in each puff. indeed a recent study has been published in which the puff-by-puff ventilation and carbon nonawide deliveries have been measured simultaneously, using tunable diode laser infrared spectroscopy (12)1 over a wide range of filter ventilation. Co~oqlernentary to the experimental narurenents of cigarette deliveries, the computer based cigarette design model, OELIYB, has been developed (13-13) which allows the determination of puff·by·puff deliveries as influenced ay a wide variety of cigarette design parartto, including filler ventiiatian, in order to assess the validity and range of application of the DELIVER model a comparison between the model and the recently puolished measured data (12) is reported here~ 2, MOOEL CALCULATIONS The cigarette design parameters used in the experimental study (12) were entered into the model, and are given in Table 1 which is in the format of the cigarette design pro·forna (13), not 111 the design parameters were given in the study (12), so values similar to there for the reference cigarette (P161) have been assumed. These estimated ~ara are identified in;able i. the consequence of this is that a ~ lult I h i II: i; 1* Elpnl b*l,~ Thll eb mw KI k e~wd pr 3mm to uol93nud pnont. O -- ----- Clil; PDF -!::!!::!!::!.f3 StlC.i: Dill an absolute comparison between the experimental and tne predicted data cannot be made, although the trends indicated by the model will be valid, The levels of filter ventilation used for this comparison were OT, 13:, 30:, 80:, 60:, t5', and g0r and the predicted values for filter ventilation, pressure drop and carbon monoxide delivery can be seen in Tables 2-8, 3, RESULTS AND DISCUSSION The experimental (12) results shown in Figure 1, show that for all cigarettes the carbon monoxfde delivery increased with increasing puff nuir~er and as expected the highest delivery was obtained for the non·filter ventilated cigarette, This observation was also predicted by the DE1IVEI model, as shown in Figure 2, although with the experimental data there is a certain amount of puff to puff variability with the tower levels of filter ventilation, It is encouraging that the absolute values for both the measured and the predicted data are very similar, particularly considering the number of estimated parameters entered as input for the model calculations, For all the cigarettes, the filter ventilation increased from puff zero, the unlit puff, to the first puff which was the lighting puff (Fiqure 3), this was also observed with the predicted values (Flgure 4). To see more clearlythe differences between the unlit ventilation and the lit ventilation levels, the puff·by-puff filter ventilations relative to that of the unlit cigarettes are plotted in Figures 5 and b, The experimental data (Figure 5) shows that the largest increase in filter ventilation of the lit cigarette, relative to that of the unlit cigarette, occurs with the dO: filter ventilation cigarette, this was the same for the predicted values as indicated in figure 6. The relative order of these Increases for the experimental data is: a IYI) I ~ f IU I I* Ilppnl ~rl~ Thll r~an mull not k topltd or Ihool to uau~PnKd p~Pnl. O --- c-- ····~"~~~~~ Clit; PDF -!::!!::!!::!.f3 StlC.i: Dill s(co:) , 0(60:) , 6(30:) , b(75:1 ~ J(!3:) , h(90r) This relative order was also the same for the predicted data, With the experimental data, the a~ximurn filter ventilation levels occur at the second puff for three out of six whilst the other maxims occur at the third puff, but for the predicted data all six maxima occur at the second puff. The increase in ventilation level from puff zero, the unlit puff, to the first puff, the lighting puff, occurred because of the increase in the pressure drop (Figure 7) of the cigarette due to the formation of the coal (3, 16), The maximum ventilation was typically observed at the record puff after tne burning lone had stabilised. The filter ventilation then decreased with increasing puff number as the pressure drop fell due to consumption of the tobacco rod, b previous report (3) had stated that the ventilation through the filter only decreases slightly during the life of the cigarette and does not fall below the unlit ventilation levels, This was not the case with the experimental data (12) and the predicted values from the DELIVER model. The agreement between the DELIVER model predictions and the experimental observation is encouraging as it indicates that the physical and chemical mechanisms and their interaction are at least partly understood, and realistically represented in the model, lull i,; IC s , Ilanl Las~ Thu rpn ~.1 n~l b~ mpd or Ihpm 10 wlu~mnud ~Ma. Si C: I i I; PDF -!::!!::!!::!.f3 StlC.i: 0111 4, REFERENCES 1, BAT Report No, RD,1826·a, 26,8,81, 2. BAT Report No. RD.17C3-C, 17.10,79, 3, BAT Report No, R0,176a·R, 3,12.80, 4, BAT Report No, R0,1607d, 9,8,78, 5, BAJ Report lo~ R0,1613·R, 15,8.78, 6. BAT Report No. R0,1615·R, 12,9.78. 7, Nonao, V. The Effect of Perforated Tipping Paper on the Yield of various Smoke Components, Beitr, Tabakforsch,, 1 (1914), pp, 282-287, 8, Selke, U,A, Dilution of Cigarette Smoke throul Ventilation of Filters. Beitr. tabakforsc~,, ~ (1978), pp, 190-192. 9, Kiefer, J,E, Ventilated filters and Their Effect on Smoke Composition, Recent Adv, iob~ Sci,, 4 (1978), pp, 69484, 10, Pullman, 3,0, and Nonan, V, Estimation of the Degree of Ventilation and its Effects on Smoke Component Yields for ~ip·Yeatilated Cigarettes. 32nd TCRC, MontFeal, 1978, 11. Browne, C.L., Kelth, C.H. and Alien, R.E. The Effect of Filter Ventilation on the Yield and Composition of Mainstream and Sidestream Smoker. Beitr, ~abakforsch,, 10 (1980), pp, 81-90, 12, Parrish,H,E,, Hanrard, C.N, and Ylldns, 6, Simultaneous Monitoring of Filter Ventilation and a Gaseous Component in Whole Cigarette Smoke bing Tunable Diode laser Infrared Spectroscopy, Beitr, TaoaKforseh,, 13 (1986), pp. 169-181. 13, BAT Report No, R0,2045-R, 6.5,86, 14, B6 Report No. R0,204B, 19.6,86, 15. BAT Report No. R0.2058, 14,10,86, 16, Baker, R,R. Contributions to the Draw Resistance of a Burning Cigarette, Beitr, Tabakforsch., 8 (1975), pp. 12P-131, ~ 1YI1 I ~ ~ IC 6 mo Elmnl Ilalr~ fha npan mull r b~ ~nprd PT Ihovl LO Y1IUlltpnUh pmoPl, a) C: I i I; PDF -!::!!::!!::!.f3 StlC.i: 0111 TABLE 1 VENTILATED FILTER CIGdRE~IE SPECIFICATION Parameter I glDol / Unit Value Net let iieignt of Tobacco UT g 0.950 Tobacco Rod Length LT mn 65.0 Length or Overtfpplng IN mn 1.0 Total Filter Length LF mn 1 19,0 Filter Lenoth upstream of Yentiiation 2one *LF1 arm 5,0 FiIter LEn~/b Oownstrean~ of Yent ilation Zone rF2 nn 15,0 Circumference C mn 25,00 Paper Seam Overlap $ mn 2,0 Base Cigarette paper Perseajility ZT CORESIR 25 Permeability Due to Eleetrostatic Perforation 2TL CORES~A 0.'3 tlgare:te Paper Thickness tTT aicrons 40 Diffusion Coefficient through Cigarette Paper '02T tn2ls 99 " Either Detailed (D) or Simplified (S~ Input n (01) Viscous Impedance of Tobacco Rod Ei an water s~c12 (32) Inenial impedance of:obacco Rod ETI an water gllC3' (03) viscous Impedance of Filter EF o water 5icn2 (51) Iner:ial Impedance of Filter Eil an water s Iclj (05) Diffusion Coeff~cient Thrwgh Tobacco OT cn2ls (56) Iransverse Dispersion Factar Tbroupn Tobacco Pod ti Icm (Si) Bouna Pressure Drop of Tobacco ZCP CPOT an water b,J (52) Bound Pressure Orop of Filter ~OF cm water 8,5 Filtration Efficiency of Filter for TPM *FE~ 58,0 Fiourare 'PFET cm3ls 17,5 Length of Filter rFiT am 20,0 Circumference of Filter "CFET mn 24182 Filtration Efficiency of Filter for Nicotine CFEN 45,0 Flawrale IPFEN em3lr 17.5 Length of Filter '1FEN nn 20,0 Circumference of Filter tCFEN ma 24,82 Filtration Efficiency of Filter far Water 'FEW 13'0 Ftewrate "PFEU on3lr 17,5 Length of:ilter *LFEil mp 20.0 Circumference of Filter *CFiw mo 24,82 " Either Detailed (0) dr Simplified (S) Input k (Oi Filter Ventilation Zone Parameters X1 99 Y1 99 (Si) Ventilation Through Filter Perforation ;one FY 0·90 (52) Average Perforation Hole Diameter 'HO microns 200,0 ioDaceo Type .TOB Unexpanded Tooacco Cuts Per Inch *CPI cpi 35 Nicotine Content of Tobacco ~NIC 1,99 Paper ~ddi:ive '!IZO~ Citrate Puff Yolune voL em3 35 Puff Duration TIM1 sec 2 Puff interval TIM2 sec 58 aut: LenS:~ 'BU~ ra 28 SElOulaer ase ~sa nmlnin 99 O iaraee:·rr not given in reference (12!, all er:imatd. ~ lull a n I I ~ I; 1M [Ignl L~slaa nl rrpn n~VI na L toprd a Ibvn I~ uaulmwd' anal O C: I i I; PDF -!::!!::!!::!.f3 StlC.i: 0111 ·i· ;XB1E 2 PIJFF·aY-~UFF DELIVER PRE~I~ISIIS Ai O: VENIII4TION Filter CO Puff Pressure Ventilation Delive"y Numoer [CB) (9) 0 0 14,1 O 15.7 1.32 2 O 17,1 1,40 3 O 17,0 1.47 4 1 O 16,9 1.53 5 0 16,8 1,60 6 O 16,7 i 1,68 7 0 16,i 1,77 8 0 16,5 1,86 9 O 16,5 1 1,97 !O 0 16,3 2.12 TABLE i PUFFdY·PUFF DELIVER PREIIGTIONS AT 13: YENfILATION Pul Ventilation Pressure Filter CO *jpl I (cmi Delivery(m9) 0 13,0 13,2 13,5 14,0 1.07 2 14,3 15.1 1.12 3 14,2 15,1 1.19 0 14,1 15,0 1,25 5 13,9 14,9 1.32 6 13,8 14,i 1,39 13.6 14,7 1,47 8 13.5 14,5 1,57 9 13,3 14.5 1,67 ·10 13,1 14,4 1,80 ~ lull B A t IU F 1~ Elpnl liPIII~ hit Ayn mYII not ~ Lnplrd or Ihown Io unlurhonlrd PMnl. ~3 Clit; PDF -!::!!::!!::!.f3 StlC.i: 0111 TABLE 4 Ai 30: VEBIILATiON PUFF·IY-)UFF IEliVO PREOI[TIONS iilter tO Puff Pressure Delivery Yenrilarion (cm) (n;~) Nusber i:; O 30,3 11,4 1 31,3 11.9 0,76 2 32.i 12,6 0,78 3 32,2 12,6 0,84 4 32.0 12,5 0.99 5 31,7 12,4 0,95 6 ?1,3 12,3 1.02 7 ?1,0 12,3 1,09 8 30.5 12.2 1.17 g 30,2 12.1 1.26 10 29,1 12.0 1,37 TABLE 5 1REDICTIONS AT 40', VENTILAilON PUFF-BY-PU:F DELIVER * Filter CO Puff Pressure Delivery Ventilitibn (mg) Number O 60,0 10,S 01.2 10,7 0,jB 2 42,9 11,2 0,60 1 12.i 11.2 0.65 4 32,2 11.1 0.70 5 41,8 11.1 0,75 6 11.4 11.0 0.81 i s1,0 10.9 0.87 8 "0,5 10,9 0.95 9 40,3 io,a 1,03 10 31,1 10,8 1,13 11 38.9 10,i 1.25 1~11 9 , r 11 I; taj LI~~IL~.ad Thl, r~Ddn mull na tc:oplcd e~ Ino.s to unlullPnyd PM"! ii Clit; PDF -!::!!::!!::!.f3 StlC.i: 0111 ~B1E 6 IT 601 YEliILIIIOI P~FF·aY·7UTf 3E1~E1 PIES~;IONS Fjltet CO Puff Vco~ll~m P'c"ure O~ive~' %d bs) O 60,0 8.2 61.2 814 0,28 2 62,7 8,6 0,28 3 62,4 8,6 0,31 4 62.3 816 0,35 61.6 8~6 0,39 61,1 816 0,43 60,6 8,5 0,48 a60,1 8,5 0.53 59,i 8,5 0,59 ja.3 8,1 0~66 11 38~2 8~4 0,74 ;RB1E 7 IT 75: YE~TilbTION PUFF$Y·PUFF OEL~EI ~~~C:IONZ Filter CO Puff Prerrure O~ i very Ven~~l~~ (mg) NumDer O ;5.0 6,7 1 75.3 6,8 0,10 77,0 6,9 0,10 3 76,7 6,9 0,12 4 /6.4 6,9 O,il 5 i6,0 6,9 0,16 6 75.6 6.9 0,18 7 75,2 6.9 0,21 8 7d,l 6,9 0.25 75.2 6,9 0.29 73,6 6,8 0,34 11 73,1 618 0,39 12 /2.4 618 0,56 Q na i,; ~e ~ Ir br;~ld nl IL ~I * ~ ~~II I yl r ··~I~ Tbl ClibPDF - v~~fastio.soni TABLE 8 pUr:·Sr·,UTF DELIVER PIIOIC;IONf~T~I~Y~ -- I Filter Pressure Delivery (,I Ini O 90,0 5,2 90,3 5~2 0,0 Z 90,8 5.2 0,0 3 90.6 5.3 0,01 90,4 5.3 0,01 5 90~2 5.3 0.01 6 90.0 5,3 0,02 7 89,5 5,3 0.03 g 89.5 5.3 0,03 9 8J,2 5.3 0.05 10 88.9 5~3 0,06 11 88,6 5~3 0,08 12 88,3 5.3 0,11 13 87,9 5.3 0,14 ~ lull I A i IU X mo EIDP~ILIIIJ Thll spon nua MI k ~ed or ~n~P*n to uplulhonub pow· O _ -C·C ·-I· Clit; PDF -!::!!::!!::!.f3 StlC.i: 0111 :: S o ~n o 3 i o JS ~ o 1 · w o I c o z > c w i o 3 = z j 1 u\w rr r LL I i ~nl t I ir O w wt I \ \ 4 i~ t o IH· z t o c r uP ~br wl I , , o r o O O o d dr ~0, O O p ClibPDF - v~~fastio.soni LII II IYII 'II·1 ~i~~ Is ~ " i, I: 1 ,, ~ ~ :: 5\ o c m\ o i i i c ii~f! 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