Integrated chemical–physical processes kinetic modelling of multiple mineral precipitation problems

2006 ◽  
Vol 53 (12) ◽  
pp. 65-73 ◽  
Author(s):  
G.A. Ekama ◽  
M.C. Wentzel ◽  
R.E. Loewenthal
Keyword(s):  
Kinetic Model ◽  
Kinetic Modelling ◽  
Close Correlation ◽  
Weak Acid ◽  
Time Profile ◽  
Swine Wastewater ◽  
Algebraic Models ◽  
Acid Base ◽  
Final Equilibrium State ◽  
Multiple Mineral

A three-phase (aqueous/gas/solid) mixed weak acid/base chemistry kinetic model is applied to evaluate the processes operative in the aeration treatment of swine wastewater (SWW) and sewage sludge anaerobic digester liquor (ADL). In both applications, with a single set of constants (except for the aeration rates which are situation specific), close correlation could be obtained between predicted and measured data, except for the Ca concentration–time profile in the SWW. For this wastewater, the model application highlighted an inconsistency in the measured Ca data which could not be resolved; this illustrates the value of a mass balance-based model in evaluating experimental data. From the model applications, in both wastewaters the dominant minerals precipitating are struvite and amorphous calcium phosphate (ACP), which precipitate simultaneously competing for the same species, P. The absolute and relative masses of the two precipitants are governed by the initial solution state (e.g. total inorganic C (CT), Mg, Ca and P concentrations), their relative precipitation rates (struvite > ACP) and the system conditions imposed (aeration rates and time applied). It is concluded that the kinetic model is able to predict correctly the time-dependent weak acid/base chemistry reactions and final equilibrium state for situations where multiple minerals competing for the same species precipitate simultaneously or sequentially, a deficiency in traditional equilibrium chemistry-based algebraic models.

Henderson Hasselbalch Relationship and Weak Acid Titration

2019 ◽  
Author(s):  
Marc Blétry
Keyword(s):  
Theoretical Framework ◽  
Weak Acid ◽  
Acid Base ◽  
Sensitive Technique ◽  
Chemistry Students ◽  
Advanced Students ◽  
Acid Titration ◽  
Acid Base Titration ◽  
Analytical Expressions

Henderson-Hasselbalch relation is generally the simplified theoretical framework used to introduce students to acid-base titration. However, it is not always valid and its limitations should be made clear to chemistry students. The appropriate parameter to evaluate its validity is K a /C 0 , in connection with Ostwald dilution law. For more advanced students, it is possible to deduce analytical expressions that always fit accurately acid-base titrations and allow an evaluation of Henderson Hasselbalch relation. Gran plot appears as a particularly sensitive technique to the breakdown of Henderson Hasselbalch relation.

Total weak acid concentration and effective dissociation constant of nonvolatile buffers in human plasma

2001 ◽  
Vol 91 (3) ◽  
pp. 1364-1371 ◽  
Author(s):  
Peter D. Constable
Keyword(s):  
Dissociation Constant ◽  
Human Plasma ◽  
Total Concentration ◽  
Weak Acid ◽  
Strong Ion Difference ◽  
Acid Base ◽  
Horse Plasma ◽  
Using Data ◽  
Species Specific

The strong ion approach provides a quantitative physicochemical method for describing the mechanism for an acid-base disturbance. The approach requires species-specific values for the total concentration of plasma nonvolatile buffers (Atot) and the effective dissociation constant for plasma nonvolatile buffers ( K a), but these values have not been determined for human plasma. Accordingly, the purpose of this study was to calculate accurate Atot and K a values using data obtained from in vitro strong ion titration and CO2tonometry. The calculated values for Atot (24.1 mmol/l) and K a (1.05 × 10−7) were significantly ( P < 0.05) different from the experimentally determined values for horse plasma and differed from the empirically assumed values for human plasma (Atot = 19.0 meq/l and K a = 3.0 × 10−7). The derivatives of pH with respect to the three independent variables [strong ion difference (SID), Pco 2, and Atot] of the strong ion approach were calculated as follows: [Formula: see text] [Formula: see text], [Formula: see text]where S is solubility of CO2 in plasma. The derivatives provide a useful method for calculating the effect of independent changes in SID+, Pco 2, and Atot on plasma pH. The calculated values for Atot and K a should facilitate application of the strong ion approach to acid-base disturbances in humans.

Cerebral acid-base and gas metabolism in brain injury

1970 ◽  
Vol 33 (5) ◽  
pp. 498-505 ◽  
Author(s):  
R. Zupping
Keyword(s):  
Metabolic Acidosis ◽  
Brain Injury ◽  
Brain Damage ◽  
Close Correlation ◽  
Respiratory Alkalosis ◽  
Acid Base ◽  
Content Type ◽  
Arterial Blood ◽  
Gas Metabolism ◽  
Permanent Brain Damage

✓ Acid-base and gas parameters of CSF, jugular venous and arterial blood were measured in 45 patients with brain injury in the first 12 days after trauma or operation. CSF metabolic acidosis together with respiratory alkalosis and hypoxemia in the cerebral venous and arterial blood were the most characteristic findings. A close correlation between the severity of brain damage and the intensity of the CSF metabolic acidosis and arterial hypocapnia was revealed. It was concluded that brain hypoxia and acidosis play an important role in the development of cerebral edema and permanent brain damage.

scholarly journals The capsule ofCryptococcus neoformansmodulates phagosomal pH through its acid-base properties

2018 ◽  
Author(s):  
Carlos M. De Leon-Rodriguez ◽  
Man Shun Fu ◽  
M. Osman Corbali ◽  
Radames J.B. Cordero ◽  
Arturo Casadevall
Keyword(s):  
Cryptococcus Neoformans ◽  
Capsular Polysaccharide ◽  
Glucuronic Acid ◽  
Pathogenic Fungus ◽  
Weak Acid ◽  
Phagocytic Cells ◽  
Acid Base ◽  
Encapsulated Cells ◽  
Human Pathogenic Fungus ◽  
Base Properties

AbstractPhagosomal acidification is a critical cellular mechanism for the inhibition and killing of ingested microbes by phagocytic cells. The acidic environment activates microbicidal proteins and creates an unfavorable environment for the growth of many microbes. Consequently, numerous pathogenic microbes have developed strategies for countering phagosomal acidification through various mechanisms that include interference with phagosome maturation. The human pathogenic fungusCryptococcus neoformansresides in acidic phagosome after macrophage ingestion that actually provides a favorable environment for replication since the fungus replicates faster at acidic pH. We hypothesized that the glucuronic acid residues in the capsular polysaccharide had the capacity to affect phagosome acidity through their acid-base properties. A ratiometric fluorescence comparison of imaged phagosomes containingC. neoformansto those containing beads showed that the latter were significantly more acidic. Similarly, phagosomes containing non-encapsulatedC. neoformanscells were more acidic than those containing encapsulated cells. Acid-base titrations of isolatedC. neoformanspolysaccharide revealed that it behaves as a weak acid with maximal buffering capacity around pH 4-5. We interpret these results as indicating that the glucuronic acid residues in theC. neoformanscapsular polysaccharide can buffer phagosomal acidification. Interference with phagosomal acidification represents a new function for the cryptococcal capsule in virulence and suggests the importance of considering the acid-base properties of microbial capsules in the host-microbe interaction for other microbes with charged residues in their capsules.ImportanceCryptococcus neoformansis the causative agent of cryptococcosis, a devastating fungal disease that affects thousands of individuals worldwide. This fungus has the capacity to survive inside phagocytic cells, which contributes to persistence of infection and dissemination. One of the major mechanisms of host phagocytes is to acidify the phagosomal compartment after ingestion of microbes. This study shows that the capsule ofC. neoformanscan interfere with full phagosomal acidification by serving as a buffer.

Kinetic modelling of the photocatalytic inactivation of bacteria

2010 ◽  
Vol 61 (6) ◽  
pp. 1547-1553 ◽  
Author(s):  
Javier Marugán ◽  
Rafael van Grieken ◽  
Alberto E. Cassano ◽  
Orlando M. Alfano
Keyword(s):  
Kinetic Model ◽  
Kinetic Parameters ◽  
Catalyst Concentration ◽  
Kinetic Modelling ◽  
Kinetic Constant ◽  
Water Disinfection ◽  
Radiation Absorption ◽  
Simple Modification ◽  
Model Based ◽  
Photocatalytic Inactivation

This work analyzes the kinetic modelling of the photocatalytic inactivation of E. coli in water using different types of kinetic models; from an empirical equation to an intrinsic kinetic model including explicit radiation absorption effects. Simple empirical equations lead to lower fitting errors, but require a total of 12 parameters to reproduce the results of four inactivation curves when the catalyst concentration was increased. Moreover, these parameters have no physical meaning and cannot be extrapolated to different experimental conditions. The use of a pseudo-mechanistic model based on a simplified reaction mechanism reduces the number of required kinetic parameters to 6, being the kinetic constant the only parameter that depends on the catalyst concentration. Finally, a simple modification of a kinetic model based on the intrinsic mechanism of photocatalytic reactions including explicit radiation absorption effects achieved the fitting of all the experiments with only three parameters. The main advantage of this approach is that the kinetic parameters estimated for the model become independent of the irradiation form, as well as the reactor size and its geometrical configuration, providing the necessary information for scaling-up and design of commercial-scale photoreactors for water disinfection.

Employing Simulated Data to Illustrate an Important Cause of the ‘Steepling’ Effect in Breath Alcohol Analysis

1994 ◽  
Vol 34 (4) ◽  
pp. 321-323 ◽  
Author(s):  
Rod G. Gullberg
Keyword(s):  
Kinetic Model ◽  
Data Collection ◽  
Nonlinear Regression ◽  
Kinetic Modelling ◽  
Analytical Data ◽  
Simulated Data ◽  
Breath Alcohol ◽  
Random Samples ◽  
The Mean ◽  
Over Time

The ‘steepling’ effect (large excursions in analytical data over time) is a debated issue in forensic breath alcohol analysis with various explanations being postulated. Simulated breath alcohol data was generated according to a hypothetical kinetic model where single random samples as well as means of duplicate random samples were plotted with respect to time at 0.2 hour intervals. In addition, the simulated data was compared when both two or more digit treatment was employed. Results showed the occurrence of significant noise or ‘steepling’ when single, two-digit breath alcohol samples were employed as compared to a four-digit mean computed from three-digit duplicates. The magnitude of variability was quantified by means of nonlinear regression resulting in the residual sum of squares (RSS) = 0.00202 for the single analysis and RSS = 0.00053 for the mean of duplicates. The method of data collection and treatment appears to contribute significantly to the ‘steepling’ phenomenon. Intuitively, replicate analyses reduce variability and allow for more accurate kinetic modelling employing breath alcohol analysis.

Unified Approximations: A New Approach for Monoprotic Weak Acid-Base Equilibria

2004 ◽  
Vol 81 (9) ◽  
pp. 1367 ◽  
Author(s):  
Harry L. Pardue ◽  
Ihab N. Odeh ◽  
Teweldemedhin M. Tesfai
Keyword(s):  
Weak Acid ◽  
Acid Base ◽  
New Approach

Kinetic Modelling of the Deposition of SiC from Methyltrichlorosilane

1991 ◽  
Vol 250 ◽  
Author(s):  
Stratis V. Sotirchos ◽  
George D. Papasouliotis
Keyword(s):  
Silicon Carbide ◽  
Kinetic Model ◽  
Gas Phase ◽  
Kinetic Modelling ◽  
Reaction Model ◽  
Heterogeneous Reactions ◽  
Reactor Model ◽  
Preliminary Results ◽  
Homogeneous Reactions

AbstractA kinetic model is presented for the deposition of silicon carbide through decomposition of methyltrichlorosilane (MTS). The developed model includes gas phase (homogeneous) reactions that lead to formation of deposition precursors and surface (heterogeneous) reactions that lead or can lead to deposition of silicon carbide, silicon, and carbon. The kinetic model is incorporated in a transport and reaction model for a tubular hot-wall reactor, and the overall reactor model is used to obtain some preliminary results on the effects of pressure and distance in the reactor on the rate of deposition and the composition of the deposit. The results show that the model can reproduce most of the experimental observations of the literature.

scholarly journals Kinetic Modelling and Determination of Octyl Phenol Ethoxylate (OPE) and Bisphenol A (BPA) (used as plastic additives) Inhibition Constants for Nitrogen Conversion

2021 ◽  
Keyword(s):  
Kinetic Model ◽  
Bisphenol A ◽  
Nitrogen Removal ◽  
Removal Rate ◽  
Kinetic Modelling ◽  
Ammonium Nitrogen ◽  
Operating Conditions ◽  
Optimum Operating ◽  
Octyl Phenol ◽  
Inhibition Constants

<p>Conversion of ammonia to nitrate is sensitive to a number of inhibitors. There is limited information on the nitrification inhibition coefficient and kinetic model in the current literature. Octyl Phenol Ethoxylate (OPE) and Bisphenol A (BPA) inhibition constants were found in nitrogen removal using an activated sludge system. Firstly, OPE and BPA free wastewater was used to determine the optimum operating conditions. The effect of OPE and BPA concentration on system performance was investigated. The ammonium removal rate was less affected by lower OPE and BPA concentrations. When the BPA and OPE concentrations were increased from 0 mg/L to 30 mg/L, the outlet ammonium nitrogen concentrations were increased respectively from 2.8 mg/L to 49.8 mg/L and from 2.6 mg/L to 20.40 mg/L. Due to the inhibition created by these compounds on Nitrobacter, nitrite nitrogen increased in the medium. As the OPE and BPA concentrations increased, the conversion rate of the ammonium nitrogen into nitrate decreased. Based on the experimental results, a kinetic model was developed, and the OPE and BPA inhibition constants (KOPE and KBPA) were found to be 40.7 mg/L and 11.76 mg/L, respectively. In nitrogen removal, BPA created a higher inhibition effect in comparison to OPE.</p>

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