Mathematical analysis of a batch electrocoagulation reactor

2002 ◽  
Vol 2 (5-6) ◽  
pp. 65-71 ◽  
Author(s):  
P.K. Holt ◽  
G.W. Barton ◽  
C.A. Mitchell

Electrocoagulation treats water by delivering coagulant from a sacrificial anode (aluminium) in an electrochemical cell. Hydrogen is evolved from the inert cathode. In the batch electrocoagulation reactor numerous interactions occur with settling and flotation identified as the dominant removal paths. Current determines both coagulant dosage and bubble production rate. The bubbles influence the mixing, and hence mass diffusion within the reactor. Rate of flotation and settling were experimentally determined for currents 0.25-2.0 A and pollutant loading 0.1-1.7 g/L. The performance of the electrocoagulation reactor was quantified by analysis of experimental results. First-order ordinary differential equations were developed to describe the pollutant's settling and flotation behaviour. Kinetic rate constants were calculated considering this pair of irreversible reactions. At low current (0.25A), sedimentation dominates with slow release of coagulant and gentle agitation provided by low bubble production. Removal is slow and hence the low rate constants calculated were appropriate. At high currents (1.0 and 2.0 A) faster removal occurs due to greater bubble density. This resulted in greater mass floated to the surface and higher rate constants were observed. Thus the developed rate equations successfully quantified the reactor's performance over a variety of conditions.

Weed Science ◽  
1988 ◽  
Vol 36 (4) ◽  
pp. 424-435 ◽  
Author(s):  
Philip J. McCall

A mathematical model describing the behavior of14C-haloxyfop {2-[4-[(3-chloro-5-(trifluoromethyl)-2-pyridinyl] oxy] phenoxy] propanoic acid} and its methyl and ethoxyethyl esters on yellow foxtail [Seteria glauca(L.) Beauv. #3SETLU] has been developed to evaluate volatility, penetration, ester transformation, metabolism, and transport of the chemical in the plant system. The effects of crop oil concentrate, temperature, structure of the molecule, and the addition of bentazon [3-(1-methylethyl)-(1H)-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide] to the application solution on the kinetic rate constants have been studied. Crop oil concentrate was found to dramatically increase penetration at an optimal level of approximately 0.3% (v/v). Significant increases in rate constants were observed at higher temperatures. Esters were rapidly converted to the acid in the plant with conversion of the ethoxyethyl ester being approximately twice as fast as the methyl ester. Subsequent metabolism of the acid proceeded at a moderate rate which was independent of the original ester form of the molecule. All kinetic processes were described by first-order rate constants with the exception of transport which appeared to slow a few hours after application even though acid levels in the plant were high. When bentazon was applied in combination with haloxyfop-methyl, penetration of the ester was somewhat inhibited, while transport of radioactivity associated with the molecule to other plant parts was dramatically reduced.


1989 ◽  
Vol 258 (2) ◽  
pp. 381-387 ◽  
Author(s):  
C T Zimmerle ◽  
C Frieden

A highly flexible computer program written in FORTRAN is presented which fits computer-generated simulations to experimental progress-curve data by an iterative non-linear weighted least-squares procedure. This fitting procedure allows kinetic rate constants to be determined from the experimental progress curves. Although the numerical integration of the rate equations by a previously described method [Barshop, Wrenn & Frieden (1983) Anal. Biochem. 130, 134-145] is used here to generate predicted curves, any routine capable of the integration of a set of differential equations can be used. The fitting program described is designed to be widely applicable, easy to learn and convenient to use. The use, behaviour and power of the program is explored by using simulated test data.


Biochemistry ◽  
1991 ◽  
Vol 30 (29) ◽  
pp. 7283-7297 ◽  
Author(s):  
Otto G. Berg ◽  
Bao Zhu Yu ◽  
Joe Rogers ◽  
Mahendra Kumar Jain

1998 ◽  
Vol 217 (1-2) ◽  
pp. 51-60 ◽  
Author(s):  
Claire L. Morgan ◽  
David J. Newman ◽  
Jacky M. Burrin ◽  
Christopher P. Price

2019 ◽  
Vol 21 (32) ◽  
pp. 17760-17771 ◽  
Author(s):  
Gustavo J. R. Aroeira ◽  
Adam S. Abbott ◽  
Sarah N. Elliott ◽  
Justin M. Turney ◽  
Henry F. Schaefer

High level ab initio methods are employed to study the addition of methanol to the simplest Criegee intermediates and its methylated analogue. Kinetic rate constants over a range of temperatures are computed and compared to experimental results.


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