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Extra resources for Computer Programs for Chemistry
I f product formation is observed, options B 1 - B 3 must be used. Failure to observe these requirements may result in improper estimates of A 0 and of k, and the computation may diverge. Options A2 and B 2 are strongly recommended. For the case where A 0 is approximately equal to B 0 , and where product formation is observed, it is usually necessary to fix either A 0 or B 0 . Otherwise the adjustment may tend to oscillate since it is not clear whether the observed variable relates to A 0 or to B 0 .
IS FOR A . E Q . B OR A . N E . Β RATE CONSTANT, AO, AND BO, RESPECTIVELY REFERENCE ARRAY FOR EQUIVALENCING BUFFER FOR SCANNING FOR PASSWORD LSKIN2 PLOTTING CHARACTER, E . G . * , + , ETC. PERCENT OF REACTION AT TIME T ( I ) FACTOR RC*DX/DT * (AO-RA*X)*(BO-RB*X) FACTOR FOR B. SEE RA. FACTOR FOR PRODUCT C . SEE RA. ANT, PROD ,UCT/6HREACTA,4HN DATA A E Q B , A N E B / 6 H A . E Q . Β , 6 H A . /B DATA C A L I B / 6 H C A L I B R / , W E I G H T / 6 H S T . D E/ V DB 17100 DB DB DB DB DB DB DB DB DB C 1 W R I T E ( 6 , 9 9 5 0) DB 9950 F0RMAT(47H1LSKIN 2 - GENERAL SECOND ORDER KINETICS PROGRAM/ DB 139H0D.
Cols. 41-50 As above. CARD 5 Cols. 1-6 Cols. 7-24 Cols. 34-60 CARD 6 Blank. UNITV VSPEC As above. As above. Card must be present but should be blank. CARD 7 Cok. 1-10 Cols. 11-20 Cols. 21-30 Cols. 31-40 Cols. 41-50 WA Leave blank if WA is to be adjusted. Any value entered remains fixed. WB AsforWA. WC AsforWA. RA A preliminary estimate of WA may be entered here. Usually blank. R B A preliminary estimate of W B may be entered here. LSKIN2 18 Cols. 51-60 RC A preliminary value of WC may be entered here.