Composition Of Aqueous Phase Research Articles

Integration of complete elemental mass-balanced stoichiometry and aqueous phase chemistry for bioprocess modelling of liquid and solid waste treatment systems – Part 4: Aligning the modelled and measured aqueous phases

Completely mass-balanced biological, physical and chemical process stoichiometry ensures that the CHONPS material and charge content entering and exiting bioprocess system models is conserved, which is a requirement for pH prediction in integrated physical, chemical and biological process models. Bioprocesses transform the material content from reactants to products, exchanging material between the aqueous, gaseous and solid phases, which cause pH changes in the aqueous phase. By measuring the material content of the aqueous phase, the progress of bioprocesses can be monitored. Alkalinity is an important aqueous-phase property that can be used to track aqueous-phase changes caused by physical, chemical and biological processes. Alkalinity is a stoichiometry property of the components in solution (i.e., a linear function of the amounts present). Its uptake from, and release to, the aqueous phase can both be modelled with bioprocess stoichiometry, and measured in physical bioprocess systems, and so aid in linking the modelled and measured aqueous-phase compositions. Changes in the concentrations of components containing the elements C, H, O, N, P and S result in changes in six weak acid/bases systems in the aqueous phase, all of which affect the total alkalinity. These are: inorganic carbon (IC), ortho-phosphate (OP), free and saline ammonia (FSA), volatile fatty acids (VFA), free and saline sulphide (FSS) and the water itself. Characterization of the aqueous phase to quantify the material content of the aqueous phase containing these six weak acid/base systems using the 5-point titration method is described. While several alkalinity titration based methods are available for anaerobic digestion bioprocess monitoring, only the 5-point titration is sufficiently accurate for aqueous-phase characterization to quantify the aqueous-material content for pH prediction in bioprocess models.

Chemical Compositions in Modified Salinity Waterflooding of Calcium Carbonate Reservoirs: Experiment

Modified or low-salinity waterflooding of carbonate oil reservoirs is of considerable economic interest because of potentially inexpensive incremental oil production. The injected modified brine changes the surface chemistry of the carbonate rock and crude oil interfaces and detaches some of adhered crude oil. Composition design of brine modified to enhance oil recovery is determined by labor-intensive trial-and-error laboratory corefloods. Unfortunately, limestone, which predominantly consists of aqueous-reactive calcium carbonate, alters injected brine composition by mineral dissolution/precipitation. Accordingly, the rock reactivity hinders rational design of brines tailored to improve oil recovery. Previously, we presented a theoretical analysis of 1D, single-phase brine injection into calcium carbonate-rock that accounts for mineral dissolution, ion exchange, and dispersion (Yutkin et al. in SPE J 23(01):084–101, 2018. https://doi.org/10.2118/182829-PA). Here, we present the results of single-phase waterflood-brine experiments that verify the theoretical framework. We show that concentration histories eluted from Indiana limestone cores possess features characteristic of fast calcium carbonate dissolution, 2:1 ion exchange, and high dispersion. The injected brine reaches chemical equilibrium inside the porous rock even at injection rates higher than 3.5 times 10^{-3} m s^{-1} (1000 ft/day). Ion exchange results in salinity waves observed experimentally, while high dispersion is responsible for long concentration history tails. Using the verified theoretical framework, we briefly explore how these processes modify aqueous-phase composition during the injection of designer brines into a calcium-carbonate reservoir. Because of high salinity of the initial and injected brines, ion exchange affects injected concentrations only in high surface area carbonates/limestones, such as chalks. Calcium-carbonate dissolution only affects aqueous solution pH. The rock surface composition is affected by all processes.

Influence of Aqueous Phase Composition on Double Emulsion Stability and Colour Retention of Encapsulated Anthocyanins.

Water-in-oil-in-water (W1/O/W2) emulsions (double emulsions) have often been used for the encapsulation of bioactive compounds such as anthocyanins. Instability of both anthocyanins and double emulsions creates a need for a tailored composition of the aqueous phase. In this work, double emulsions with a gelled internal water phase were produced and monitored over a 20-day storage period. The effect of the electrolyte phase composition (varying electrolyte components, including adipic acid, citric acid, and varying concentration of potassium chloride (KCl)) on anthocyanin and double emulsion stability was analysed using colour analysis, droplet sizing, and emulsion rheology. The effect of electrolytes on colour retention was shown to differ between the primary W1/O emulsion and the secondary W1/O/W2 emulsion. Furthermore, droplet size analysis and emulsion rheology highlighted significant differences in the stability and structural behaviour of the emulsions as a function of electrolyte composition. In terms of colour retention and emulsion stability, a citrate-buffered system performed best. The results of this study highlight the importance of strict control of aqueous phase constituents to prevent anthocyanin degradation and maximise double emulsion stability. Additional experiments analysed the effect of pectin chemistry on the anthocyanin colour retention and leakage, finding no conclusive difference between the unmodified and amidated pectin.

Effects of monovalent and divalent cations on the rheology of organic acid laden interfaces

The focus of this work is to investigate the interfacial rheology of a fatty acid, stearic acid (SA), and a commercial mixture of naphthenic acid (CMNA), capable of mimicking the real naphthenic acids (NAs) found in crude oils. We aim to propose an acidic molecular interaction at the water-oil interface under different aqueous phase compositions, by changing its electrolyte content, adding monovalent salts (NaCl and KCl), divalent salts (CaCl2 and BaCl2), and, increasing the pH of the water subphase. The viscoelastic properties are measured using the pendant drop dilation and contraction technique known as drop shape analysis (DSA). Furthermore, we prepare water-in-oil emulsions to correlate interfacial properties with their stability. The experimental results reveal that SAs can form rigid and viscoelastic films upon low sinusoidal deformations and higher cation content. We find that the emulsions containing SAs are more stable in high pH environments, where we observe the presence of birefringence features in SA laden droplets. This outcome evidences the interplay between emulsion stability and mechanical resistance at hydrocarbon-high pH interfaces loaded with SAs.

Novel Bis(diphenylcarbamoylmethylphosphine oxide) Ligand for Effective Extraction of Actinides and Lanthanides from Nitric Acid Solutions

ABSTRACT A novel polydentate neutral organophosphorus ligand N,N’-dicyclohexyl-N,N’-bis(diphenylphosphinoylacetyl)urea 1 containing two Ph2P(O)CH2C(O)N(cyclo-Hex)- bidentate moieties connected by a carbonyl group through amide nitrogen atoms was studied as an extractant for U(VI), Th(IV) and lanthanides(III) ions from HNO3 solutions into molecular diluents and ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide. The influence of composition of aqueous and organic phases on the extraction efficiency was elucidated and stoichiometry of the complexes extracted was determined. Slope analysis indicates that the ligand 1: metal ratio in the extracted complexes in ionic liquid is less than that in 1,2-dichloroethane. The extraction efficiency of bis-CMPO 1 towards U(VI), Th(IV) and lanthanides(III) increased significantly in the presence of ionic liquid. Bis-CMPO ligand 1 in ionic liquid was found to possess a higher extraction efficiency towards U(VI), Th(IV) and lanthanides(III) ions than its mono analog diphenyl-(N,N-dibutylcarbamoylmethyl)-phosphine oxide 2. The role of Tf2N− anions in increasing the efficiency of Ln(III) extraction in the presence of an ionic liquid is discussed.

Extensions of CASH+ thermodynamic solid solution model for the uptake of alkali metals and alkaline earth metals in C-S-H

The new CASH+ core sublattice solid solution model of calcium-silicate-hydrate (C-S-H) can describe calcium uptake, solubility, water content, and mean silicate chain length up to 90 °C. In this study, the model has been consistently extended to describe the equilibrium uptake of alkalis (Li, Na, K, Rb, Cs) and alkaline earths (Mg, Sr, Ba, Ra). The new endmembers for each cation were defined, and their properties, along with binary interaction parameters, were fitted against known aqueous and solid phase compositions. The CASH+ model with its extensions can be directly used in GEMS codes or discretized and exported for use with other geochemical speciation computer programs. In agreement with the experimental data, the model indicates that the uptake of alkalis and alkaline earth cations occurs mainly as a competitive (interlayer) ion exchange, uptake is favored at low C/S ratios, silicate chains get shorter at higher pH, and the uptake of bivalent cations (in the order Mg2+ < Ca2+ < Sr2+ < Ba2+ < Ra2+) is preferential over that of monovalent cations (Li+ ≈ Na+ < K+ ≈ Rb+ ≈ Cs+).

Process Analysis of Main Organic Compounds Dissolved in Aqueous Phase by Hydrothermal Processing of Açaí (Euterpe oleraceae, Mart.) Seeds: Influence of Process Temperature, Biomass-to-Water Ratio, and Production Scales

This work aims to systematically investigate the influence of process temperature, biomass-to-water ratio, and production scales (laboratory and pilot) on the chemical composition of aqueous and gaseous phases and mass production of chemicals by hydrothermal processing of Açaí (Euterpe oleraceae, Mart.) seeds. The hydrothermal carbonization was carried out at 175, 200, 225, and 250 °C at 2 °C/min and a biomass-to-water ratio of 1:10; at 250 °C at 2 °C/min and biomass-to-water ratios of 1:10, 1:15, and 1:20 in technical scale; and at 200, 225, and 250 °C at 2 °C/min and a biomass-to-water ratio of 1:10 in laboratory scale. The elemental composition (C, H, N, S) in the solid phase was determined to compute the HHV. The chemical composition of the aqueous phase was determined by GC and HPLC and the volumetric composition of the gaseous phase using an infrared gas analyzer. For the experiments in the pilot test scale with a constant biomass-to-water ratio of 1:10, the yields of solid, liquid, and gaseous phases varied between 53.39 and 37.01% (wt.), 46.61 and 59.19% (wt.), and 0.00 and 3.80% (wt.), respectively. The yield of solids shows a smooth exponential decay with temperature, while that of liquid and gaseous phases showed a smooth growth. By varying the biomass-to-water ratios, the yields of solid, liquid, and gaseous reaction products varied between 53.39 and 32.09% (wt.), 46.61 and 67.28% (wt.), and 0.00 and 0.634% (wt.), respectively. The yield of solids decreased exponentially with increasing water-to-biomass ratio, and that of the liquid phase increased in a sigmoid fashion. For a constant biomass-to-water ratio, the concentrations of furfural and HMF decreased drastically with increasing temperature, reaching a minimum at 250 °C, while that of phenols increased. In addition, the concentrations of CH3COOH and total carboxylic acids increased, reaching a maximum concentration at 250 °C. For constant process temperature, the concentrations of aromatics varied smoothly with temperature. The concentrations of furfural, HMF, and catechol decreased with temperature, while that of phenols increased. The concentrations of CH3COOH and total carboxylic acids decreased exponentially with temperature. Finally, for the experiments with varying water-to-biomass ratios, the productions of chemicals (furfural, HMF, phenols, cathecol, and acetic acid) in the aqueous phase is highly dependent on the biomass-to-water ratio. For the experiments at the laboratory scale with a constant biomass-to-water ratio of 1:10, the yields of solids ranged between 55.9 and 51.1% (wt.), showing not only a linear decay with temperature but also a lower degradation grade. The chemical composition of main organic compounds (furfural, HMF, phenols, catechol, and acetic acid) dissolved in the aqueous phase in laboratory-scale study showed the same behavior as those obtained in the pilot-scale study.

Tailoring W/O emulsions for application as inner phase of W/O/W emulsions: Modulation of the aqueous phase composition

This work focused on evaluating the effect of adding sodium chloride (0.2% w/w NaCl), gallic acid (0.5% w/w GA) or GA/NaCl (0.5%/0.2% w/w) blend, as well as PGPR concentration (1.5–4.5% w/w) on the stability and structure of water-in-oil (W/O) emulsions aiming their application as an internal phase of water-in-oil-in-water (W/O/W) emulsions. The GA/NaCl and water (control) systems showed similar interfacial tension curves, but the addition of GA or NaCl promoted a remarkable reduction in the interfacial tension. The presence of GA and/or NaCl promoted subtle changes in interface viscoelasticity, showing that interface properties were mostly impacted by PGPR. All emulsions showed Newtonian behavior, but kinetic stability was improved in the presence of NaCl (NaCl or GA/NaCl) and in the highest PGPR concentration. In addition to good stability, the GA/NaCl system stabilized by 4.5% PGPR can present functional properties, due to the presence of GA, which makes this system a promising alternative to produce double emulsions with a wider application. • Aqueous phase composition affected the characteristics of W/O emulsions. • Gallic acid and NaCl decreased the tension between water-sunflower oil interface. • Gallic acid and NaCl in aqueous phase improved kinetic stability of emulsions.

Electrified liquid-liquid interface as an electrochemical tool for the sensing of putrescine and cadaverine.

Putrescine and cadaverine are biogenic amines that serve as potential biomarkers for several types of cancers and monitoring food quality. Electrochemical sensing of putrescine and cadaverine by non-enzymatic routes remains a challenge because of their inertness at unmodified electrode surfaces and hence a liquid-liquid interface strategy has been employed for their detection. In the present study, electrochemical sensing of cadaverine and putrescine has been demonstrated by simple and facilitated ion-transfer processes using a liquid-liquid microinterface supported by a microcapillary. A microinterface was constructed in different configurations by varying the aqueous phase composition in the absence and presence of dibenzo-18-crown-6, and the ion-transfer ability of putrescine and cadaverine was studied in these configurations. A peak shaped voltammogram was observed in the backward scan, due to the linear diffusion of putrescine and cadaverine from the organic to the aqueous phase. The detection ability in the presence of dibenzo-18-crown-6 was observed in the concentration ranges of 0.25-25 μM and 0.25-40 μM for putrescine and cadaverine with detection limits of 0.11 and 0.17 μM respectively. In the presence of dibenzo-18-crown-6, the electrochemical sensing of putrescine and cadaverine was more pronounced compared to the simple ion-transfer process.

Encapsulation of Lactobacillus casei (ATCC 393) by Pickering-Stabilized Antibubbles as a New Method to Protect Bacteria against Low pH

Pickering-stabilized antibubbles were used as a new method to encapsulate Lactobacillus casei. Antibubbles consist of one or more liquid droplets within a shell of gas. The antibubbles were prepared from a water-in-oil-in-water (W/O/W) emulsion stabilized by silica particles, which was then freeze-dried to remove the water and oil phases, before being subsequently reconstituted in water. Different oil phases and aqueous phase compositions were tested for their effect on the survival of the bacteria. The survival of L. casei after encapsulation using decane was 29.8 ± 2.1% in antibubbles containing 10% (w/v) maltodextrin plus 8% (w/v) sucrose, which is comparable to the survival when bacteria were freeze-dried without being encapsulated. Encapsulation within antibubbles led to a 10 to 30 times higher survival of L. casei at pH 2 in comparison with unencapsulated bacteria. This study shows that probiotics can be encapsulated within a shell of gas through the use of antibubbles and that this protects probiotics against a low pH.

Extraction Properties of Diphenyl{[N-(2-diphenylphosphinylethyl)-N-alkyl]carbamoylmethyl}phosphine Oxides in Nitric Acid Solutions

Extraction of micro amounts of U(VI), Th(IV), and REE(III) from HNO3 solutions with solutions of diphenyl{[N-(2-diphenylphosphinylethyl)-N-alkyl]carbamoylmethyl}phosphine oxides in organic solvents has been studied. Extracted complexes stoichiometry has been determined, effect of extractant structure, organic solvent nature, and aqueous phase composition on the efficiency of U(VI), Th(IV), and REE(III) recovery into organic phase have been considered. It has been shown that the modification of diphenyl(dialkylcarbamoylmethyl)phosphine oxide by the introduction of additional phosphoryl group into the amide moiety leads to increase in extraction ability toward Th(IV) and slight change in the recovery degree of U(VI) from nitric acid solutions. The efficiency of U(VI), Th(IV), and REE(III) recovery into organic phase increases considerably in the presence of ionic liquid: 1-butyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide.

Discrepancies in Solvent Extraction Slope Analysis Caused by Aqueous Buffer Complexation

ABSTRACT The interaction between an aqueous phthalate buffer and the rare earth metal europium(III) was investigated to demonstrate the effect of buffer complexation of Eu on solvent extraction slope analysis. Some literature has suggested the formation of aqueous rare earth-hydroxide complexes in solvent extraction systems due to depressed slopes in log–log plots of extraction data. These claims were made despite the experiments being conducted under acidic conditions where extraction of rare earth-hydroxide complexes cannot affect the acid dependence of the extraction, and despite neglecting to account for aqueous buffer ligand complexation. We investigated the extractant concentration and acid dependencies of the Eu distribution ratio for two bis(2-ethylhexyl)phosphoric acid/o-xylene extraction systems with varying aqueous phase compositions. The first system contained no buffer and produced log–log plots with slopes close to 3, while the second system containing aqueous phthalate buffer resulted in greatly diminished distribution ratio values and acid dependencies with variable slopes. These experiments, in conjunction with fluorescence spectroscopy of the aqueous phases, suggest that the rare earth elements complex with aqueous buffer rather than hydroxide at pH values less than 6.

A Rational Design of a Biphasic DissolutionSetup-Modelling of Biorelevant Kinetics for a Ritonavir Hot-Melt Extruded Amorphous Solid Dispersion.

Biphasic dissolution systems achieved good predictability for the in vivo performance of several formulations of poorly water-soluble drugs by characterizing dissolution, precipitation, re-dissolution, and absorption. To achieve a high degree of predictive performance, acceptor media, aqueous phase composition, and the apparatus type have to be carefully selected. Hence, a combination of 1-decanol and an optimized buffer system are proposed as a new, one-vessel biphasic dissolution method (BiPHa+). The BiPHa+ was developed to combine the advantages of the well-described biorelevance of the United States Pharmacopeia (USP) apparatus II coupled with USP apparatus IV and a small-scale, one-vessel method. The BiPHa+ was designed for automated medium addition and pH control of the aqueous phase. In combination with the diode array UV-spectrophotometer, the system was able to determine the aqueous and the organic medium simultaneously, even if scattering or overlapping of spectra occurred. At controlled hydrodynamic conditions, the relative absorption area, the ratio between the organic and aqueous phase, and the selected drug concentrations were identified to be the discriminating factors. The performance of a hot-melt extruded ritonavir-containing amorphous solid dispersion (ritonavir-ASD) was compared in fasted-state dissolution media leading to different dissolution-partitioning profiles depending on the content of bile salts. An advanced kinetic model for ASD-based well described all phenomena from dispersing of the ASD to the partitioning of the dissolved ritonavir into the organic phase.

Biomethane Production from Pyrolytic Aqueous Phase: Biomass Acid Washing and Condensation Temperature Effect on the Bio-oil and Aqueous Phase Composition

The aim of this work was to evaluate biomethane production by anaerobic digestion using aqueous phase from Fast Pyrolysis of Douglas Fir Wood as substrate. The effect of biomass acid treatment and condensation temperature on the bio-oil chemical composition and aqueous phase separation with a fractional condensation system coupled to Auger reactor during pyrolysis at 500 °C was reported. As the first condenser temperature was augmented from 40 and 80 °C, the bio-oil yield obtained decreased from 30 to 16 wt% and the aqueous phase yield in the second condenser (kept at 25 °C) increased from 27 till 37 wt%. When the untreated biomass was pyrolyzed, the aqueous phase collected in the second condenser (at the first condenser operated at 80 °C) was anaerobically digested at 100 ppm for 400 h results in 31.3 NmL of CH4/batch. However, the best result was attained after washed biomass with acetic acid (10%) previously to fast pyrolysis, obtaining 86.8 NmL of CH4/batch using just 10 ppm, perhaps due to halved of formed hydroxyacetaldehyde and estimated levoglucosan content increases by more than three times at this condition. Thus, the attained results confirmed the viability of the adopted strategy to improve the anaerobic digestion of the aqueous phase obtained by fractional condensation systems for biomethane production.

The Use of Different Commercial Mineral Water Brands to Produce Oil-In-Water Nanoemulsions.

Nanoemulsions are submicron-size colloidal systems that have the ability to encapsulate, protect, and deliver active ingredients. They have been used in the pharmaceutical, cosmetics, and food industries to improve the absorption of drugs by the skin or via the gastrointestinal tract, aide in food conservation, and treat skin problems. To proper formulate a nanoemulsion, it is important to know the characteristics of its components (aqueous and oil phases, surfactants and additives), as well as the influence on the production method that will be used. This study investigates the influence of aqueous phase composition, stability and particle size in an oil-and-water nanoemulsion formation. By using a low energy method, the purified water was exchanged for different commercial mineral water and saline solutions, and the results of stability, particle size, pH and conductivity tests, were compared. These results show that the minerals present in commercial waters may alter the particle size, pH and conductivity values of nanoemulsions, as well as their stability.

Photochemistry of the Cloud Aqueous Phase: A Review.

This review paper describes briefly the cloud aqueous phase composition and deeply its reactivity in the dark and mainly under solar radiation. The role of the main oxidants (hydrogen peroxide, nitrate radical, and hydroxyl radical) is presented with a focus on the hydroxyl radical, which drives the oxidation capacity during the day. Its sources in the aqueous phase, mainly through photochemical mechanisms with H2O2, iron complexes, or nitrate/nitrite ions, are presented in detail. The formation rate of hydroxyl radical and its steady state concentration evaluated by different authors are listed and compared. Finally, a paragraph is also dedicated to the sinks and the reactivity of the HO• radical with the main compounds found in the cloud aqueous phase. This review presents an assessment of the reactivity in the cloud aqueous phase and shows the significant potential impact that this medium can have on the chemistry of the atmosphere and more generally on the climate.

Reactive extraction of propionic acid using trioctylamine in 1–decanol by response surface methodology optimization technique

Abstract Reactive extraction, a novel technique, was experimentally investigated for the removal of propionic acid, which is usually present in low concentrations in aqueous solutions. The experiments were conducted according to statistical design to develop an appropriate regression model. This was aimed at analyzing and optimizing the process variables and extraction efficiency for propionic acid reactive extraction from dilute aqueous streams using trioctylamine as extractant and 1-decanol as organic diluent. Response surface methodology in combination with Box–Behnken design involving 17 experimental runs was utilized for the propionic acid reactive extraction in this study. Three independent process variables were chosen as temperature (T), initial propionic acid concentration (CPAO) in the aqueous phase and trioctylamine composition (CTOA) in the organic phase. The statistical design analysis demonstrated that the propionic acid concentration and TOA composition had a significant effect while temperature had an insignificant effect on the response value as well as an interactive and quadratic effect on the response. The optimum conditions for propionic acid extraction were established as T = 300.752 K, CTOA = 18.252 %v/v, CPAO = 0.408 kmol/m3. Under these optimum conditions, the propionic acid experimental extraction yield was 89.788 %, which was in close conformity with the predicted yield value of 91.939 %.

Durable Perovskite UV Sensor Based on Engineered Size-Tunable Polydimethylsiloxane Microparticles Using a Facile Capillary Microfluidic Device from a High-Viscosity Precursor.

In this work, size-tunable polydimethylsiloxane (PDMS) microparticles are fabricated from a high-viscosity oil phase using a facile coflowing capillary microfluidic device and optimized aqueous phase composition. The dispersity of the microparticle size is tuned by engineering of the viscosity of the continuous phase and flow rate ratio that leads us to achieve monodisperse microparticles. Regarding the high potential of the PDMS microparticles for optical applications, efficient environmentally durable perovskite-based UV sensors are fabricated employing the designed size-tunable microparticles. Surprisingly, the UV sensors comprising CH3NH3PbBr3 perovskite quantum dots as UV-sensitive nanocrystals embedded in transparent PDMS microparticles are water resistant because of the high hydrophobicity of PDMS. Remarkably, the UV sensors show a photoluminescence quantum yield as high as 75% that can be employed effortlessly as reusable leak detectors in different fluidic working systems.

Genesis of the Yessentuki Deposit of Carbonated Waters, North Caucasus

Abstract—The existing models of the formation of the Yessentuki mineral water deposits are analyzed on the basis of geothermal features of the formation, major and trace-element characteristics of salt composition, as well as isotope composition of aqueous (δ18О and δ2Н) and gas (δ13С in СО2 and СН4, 3Не/4Не) phases of carbonated mineral waters of the North Cis-Caucasus. It has been shown that water uptake from the Nagut deposit can provide the formation of salt composition of waters of the Yessentuki Deposit, but does not explain completely the observed differences in isotope composition of gas and water phases of these deposits. This can be explained only by additional influx of matter (mainly gases) non-related with the Nagut deposit. It was hypothesized that the Yessentuki “hydrochloric–alkaline” waters could be of “relict” origin.

Suction cup system‐dependent variable boundary condition: Transient water flow and multicomponent solute transport

AbstractSuction cups are widely used in agricultural and environmental research and monitoring under the hypothesis that the sample chemistry represents the soil pore water solute composition around the cup location. The objective of this study was to analyze the sampling procedures that lead to the most representative sample for soil aqueous phase composition when using a falling head suction cup. This was achieved by simulating simultaneously the hydraulic and geochemical response of the suction cup sampled soil solution and its immediate surroundings when evacuated by a system‐dependent variable boundary condition. Different soils, water contents, vacuum applications, and suction cup internal volumes, as well as variable hydraulic conductivities of the ceramic cup, were evaluated, and their effects on the sampling rate and sample chemical composition were reported. Model results showed that potential extracted soil solution volume depends on a combination of internal suction cup volume and vacuum applied, independently from soil type or water content. A linear relationship was defined between the ratio of the extracted sample to suction cup volume and the initial applied vacuum, for all simulations. The pH values and general chemistry of the sampled solution were found to be more similar to those in the soil when a porous cup system is filled until hydraulic equilibrium is reached. Following this, a small volume suction cup system with a high initial applied vacuum, which allows for faster sample collection, could be optimal.