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Dissertations / Theses on the topic 'Chemical equilibrium – Data processing'

Author: Grafiati

Published: 4 June 2021

Last updated: 16 February 2022

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1

Jost, Pierre. "Apport de technique informatiques a l'etude des complexes polynucleaires du nolybdene vi : equilibres de formation et cinetique de condensation en milieu nacl 0,1 m." Université Louis Pasteur (Strasbourg) (1971-2008), 1987. http://www.theses.fr/1987STR13112.

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La methode proposee consiste a combiner la methode de la surface potentiometrique de bye-lefebvre, une methode de regression non lineaire et une methode de simulation statistique. Etude des equilibres de formation des isopolyanions molybdiques. On propose un mecanisme de type sn2 pour les reactions de decondensation et d'hydrolyse des ions trimolybdiques et tetramolybdiques

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2

Cheluget, Eric Lanǵat. "Vapor-liquid equilibrium studies. Prediction for ill-defined mixtures and modification of a data collecting apparatus." Thesis, McGill University, 1988. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=61908.

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3

Varughese, Babu. "Estimation of unifac parameters for prediction of vapor-liquid equilibria." Thesis, Georgia Institute of Technology, 1986. http://hdl.handle.net/1853/10029.

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4

Sibbald, David Bruce. "Development of data acquisition and analysis methods for chemical acoustic emission." Thesis, University of British Columbia, 1990. http://hdl.handle.net/2429/28829.

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Acoustic Emission Analysis (AEA) is the study of the sonic (and ultrasonic) energy released by chemical systems in the form of transient waves, as the system attempts to (re)attain equilibrium. This area of chemistry, and chemical analysis, is ripe for fundamental studies since it has been little explored. The high potential of the technique as a non-invasive, non-destructive reaction monitoring scheme suggests that numerous applications will follow. In this work, an apparatus and software have been constructed to monitor acoustic emission (AE) and collect and process AE data. A broad-band pi

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5

Mailhe, Maxime. "Batch processing task optimization." Thesis, Georgia Institute of Technology, 1994. http://hdl.handle.net/1853/11893.

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6

Morgan, Clifford Owen. "Development of computer aided analysis and design software for studying dynamic process operability." Thesis, Georgia Institute of Technology, 1986. http://hdl.handle.net/1853/10187.

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7

Brownbridge, George Peter Edward. "Computer assisted model development applied to chemical engineering systems." Thesis, University of Cambridge, 2015. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.708972.

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8

Petersson, Henrik. "Multivariate Exploration and Processing of Sensor Data-applications with multidimensional sensor systems." Doctoral thesis, Linköpings universitet, Tillämpad Fysik, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-14879.

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A sensor is a device that transforms a physical, chemical, or biological stimulus into a readable signal. The integral part that sensors make in modern technology is considerable and many are those trying to take the development of sensor technology further. Sensor systems are becoming more and more complex and may contain a wide range of different sensors, where each may deliver a multitude of signals.Although the data generated by modern sensor systems contain lots of information, the information may not be clearly visible. Appropriate handling of data becomes crucial to reveal what is sough

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9

Alici, Semra. "Dynamic data reconciliation using process simulation software and model identification tools." Access restricted to users with UT Austin EID Full text (PDF) from UMI/Dissertation Abstracts International, 2001. http://wwwlib.umi.com/cr/utexas/fullcit?p3025133.

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10

Witkowski, Walter Roy 1961. "SIMULATION ROUTINE FOR THE STUDY OF TRANSIENT BEHAVIOR OF CHEMICAL PROCESSES." Thesis, The University of Arizona, 1986. http://hdl.handle.net/10150/276537.

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11

Leach, Christopher. "Novel Internet based methods for chemical information control." Thesis, Imperial College London, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.300623.

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12

Garrett, Joseph Lee. "A comparison of flux-splitting algorithms for the Euler equations with equilibrium air chemistry." Thesis, Virginia Tech, 1989. http://hdl.handle.net/10919/44636.

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<p>The use of flux-splitting techniques on the Euler equations is considered for high Mach number, high temperature flows in which the fluid is assumed to be inviscid air in equilibrium. Three different versions of real gas extensions to the Stegerâ Warming and Van Leer flux-vector splitting, and four different versions of real gas extensions to the Roe flux-difference splitting, are compared with regard to general applicability and ease of implementation in existing perfect gas g algorithms. Test computations are performed for the M = 5, high temperature flow over a 10-degree wedge an

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13

Power, Christopher P. H. "Qualitative reasoning framework for process systems with spatial patterns." Diss., Georgia Institute of Technology, 2003. http://hdl.handle.net/1853/11121.

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14

Zsótér, András. "Robotic chemical synthesis using forth as an interactive development environment." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 1996. http://hub.hku.hk/bib/B31235505.

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15

Ozyurt, Burhanettin Derya. "Geographic and process information systems for multi-facility design and operation." Diss., Georgia Institute of Technology, 1999. http://hdl.handle.net/1853/11003.

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16

Lakshmanan, Nithya M. "Estimation and control of nonlinear batch processes using multiple linear models." Thesis, Georgia Institute of Technology, 1997. http://hdl.handle.net/1853/11835.

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17

Dalton, Rebecca Marie, University of Western Sydney, of Science Technology and Environment College, and of Science Food and Horticulture School. "The development of students' mental models of chemical substances and processes at the molecular level." THESIS_CSTE_SFH_Dalton_R.xml, 2003. http://handle.uws.edu.au:8081/1959.7/816.

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The development of student’s mental models of chemical substances and processes at the molecular level was studied in a three-phase project. Animations produced in the VisChem project were used as an integral part of the chemistry instruction to help students develop their mental models. Phase one of the project involved examining the effectiveness of using animations to help first-year university chemistry students develop useful mental models of chemical phenomena. Phase two explored factors affecting the development of student’s mental models, analysing results in terms of a proposed model

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18

Jośī, Dilīpa. "REAL-TIME DIGITAL CONTROL FOR BIOMASS LIQUEFACTION SYSTEM (HIGH PRESSURE, TEMPERATURE, MICROPROCESSOR, AUTOCLAVE)." Thesis, The University of Arizona, 1985. http://hdl.handle.net/10150/275423.

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19

Pomareda, Sesé Victor. "Signal Processing Approaches to the Detection and Localization of Gas Chemical Sources using Partially Selective Sensors." Doctoral thesis, Universitat de Barcelona, 2013. http://hdl.handle.net/10803/119727.

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Due to recent progress, higher-order chemical instrumentation provides large amounts of data which need automated processing in order to extract relevant information. In most cases, the raw signals or spectra are too complex for manual analysis. The ability to detect, identify and quantitate chemical substances in gas phase in field operations is required in a huge number of applications. Among them, I would like to highlight the need for chemical sensing on diverse humanitarian, safety and security applications. In these cases, it becomes extremely important to continuously monitor the enviro

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20

Harper, Robert T. "Determination of the proton affinities of gas phase peptides by mass spectrometry and computational chemistry." Scholarly Commons, 2007. https://scholarlycommons.pacific.edu/uop_etds/673.

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Helices in proteins have substantial permanent dipole moments arising from the nearly perfect alignment of the individual dipole moments of each peptide bond. Interaction with this helix "macrodipole" is thought to perturb the pKa values of basic or acidic residues at the helix termini. The goal of this project is to investigate the effect of the helix confonnation on the proton affinities ofbasic amino acids placed at theN- or Ctenninus of helical model peptides in the gas phase. Several series of model peptides having a basic residue, lysine (K) or 2,3- diaminopropionic acid (Dap ), located

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21

Runsewe, Olubisi A. "A Novel Cloud Broker-based Resource Elasticity Management and Pricing for Big Data Streaming Applications." Thesis, Université d'Ottawa / University of Ottawa, 2019. http://hdl.handle.net/10393/39251.

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The pervasive availability of streaming data from various sources is driving todays’ enterprises to acquire low-latency big data streaming applications (BDSAs) for extracting useful information. In parallel, recent advances in technology have made it easier to collect, process and store these data streams in the cloud. For most enterprises, gaining insights from big data is immensely important for maintaining competitive advantage. However, majority of enterprises have diﬃculty managing the multitude of BDSAs and the complex issues cloud technologies present, giving rise to the incorporation o

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22

Lundholm, Karin. "Fate of Cu, Cr, As and some other trace elements during combustion of recovered waste fuels." Doctoral thesis, Umeå : Department of Applied Physics and Electronics, Umeå Univ, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:umu:diva-1132.

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23

REGO, MARIA E. de M. "Gestão dos rejeitos radioativos gerados na produção de 99Mo por fissão nuclear." reponame:Repositório Institucional do IPEN, 2013. http://repositorio.ipen.br:8080/xmlui/handle/123456789/10584.

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Made available in DSpace on 2014-10-09T12:42:15Z (GMT). No. of bitstreams: 0<br>Made available in DSpace on 2014-10-09T14:05:29Z (GMT). No. of bitstreams: 0<br>Dissertação (Mestrado)<br>IPEN/D<br>Instituto de Pesquisas Energeticas e Nucleares - IPEN-CNEN/SP

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24

Le, Guern François. "Ecoulements réactifs à hautes températures, mesures et modélisations." Paris 7, 1988. http://www.theses.fr/1988PA077222.

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Mise au point et réalisation d'une méthode de prélèvement des gaz volcaniques qui permet de reconstituer la composition élémentaire d'une source gazeuse à haute température. Cette résolution est basée sur la minimisation de l'enthalpie globale du système par calcul sur une banque de données. Cette méthode a été testée sur plusieurs volcans : Mt St Helens, l'Etna, le mont Usu. La modélisation de l'évolution physico-chimique des gaz volcaniques lors de leur refroidissement permet de relier la composition des gaz magmatiques à la genèse des aérosols atmosphériques, à la formation des incrustation

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25

Moodley, Kuveneshan. "Automation of a static-synthetic apparatus for vapour-liquid equilibrium measurement." Thesis, 2012. http://hdl.handle.net/10413/8299.

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The measurement of vapour-liquid equilibrium data is extremely important as such data are crucial for the accurate design, simulation and optimization of the majority of separation processes, including distillation, extraction and absorption. This study involved the measurement of vapour-liquid equilibrium data, using a modified version of the static total pressure apparatus designed within the Thermodynamics Research Unit by J.D. Raal and commissioned by Motchelaho, (Motchelaho, 2006 and Raal et al., 2011). This apparatus provides a very simple and accurate means of obtaining P-x data using o

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26

Zhu, Jiaping. "A smoothing penalty method for mathematical programs with equilibrium constraints." 2005. http://hdl.handle.net/1828/821.

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In this thesis, a new smoothing penalty algorithm is introduced to solve a mathematical program with equilibrium constraints (MPEC). By smoothing the exact penalty function, an MPEC is reformulated as a series of subprograms which belong to a class of MPECs with simple linear complementarity constraints. To deal with the subproblems, a hybrid algorithm is proposed, which combines the active set algorithm, the 6-active search algorithm and the PSQP algorithm. It is shown that the smoothing penalty algorithm converges globally to a M-stationary point of MPEC under weak conditions. Supervisor: Dr

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27

Tadie, Margreth. "The design of two apparati to measure solid-liquid and liquid-liquid equilibria data." Thesis, 2010. http://hdl.handle.net/10413/3089.

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Two new apparati have been developed to measure solid-liquid and liquid-liquid equilibria via a synthetic visual method by determination of thermal signatures. One apparatus adopts a technique of using Peltier modules for cooling, and the other is a well-known design that uses a cryogenic fluid in a thermostatted glass cell for cooling of the sample. The Peltier design is for small sample volumes, with a 10 cm3 aluminium equilibrium cell and has a minimum operating temperature of 253.15 K. The glass design is developed to complement the Peltier and has a larger volume of 140 cm3 and a minimum

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28

Norman, Sarah Elizabeth. "Chemical process analysis: chemometrics; instrument control; applications in equilibrium and kinetic investigations." 2008. http://hdl.handle.net/1959.13/802346.

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Research Doctorate - Doctor of Philosophy (PhD)<br>This work presents the development and application of modern data acquisition and analysis techniques for the investigations of equilibrium and kinetic reactions. The analytical technique is known as second order global analysis and a background of this relatively novel approach has been given. The theory behind and characteristics of the computer programs developed analysis as part of this research are described in Chapter Two along with descriptions of the instrumentation and programs developed for the acquisition of both potentiometric and

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29

Tshibangu, Mulamba Marc. "High pressure vapour-liquid equilibrium data of fluorochemical systems for various temperatures using a new static apparatus." Thesis, 2010. http://hdl.handle.net/10413/2859.

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The thermodynamic knowledge of accurate phase equilibrium data plays an important role in the design and optimization of separation processes in chemical and engineering industries. Vapour-liquid equilibrium data are essential for the design of efficient separation processes such as distillation. The presented research study is mainly focused on the vapour-liquid equilibrium data measurement of fluorochemical and hydrocarbon binary systems at various temperatures and at high pressures. A new static analytical apparatus was constructed and commissioned for the measurement of accurate and precis

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30

Ramlal, Jasmeer. "Model predictive control of hybrid systems." Thesis, 2002. http://hdl.handle.net/10413/4808.

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Hybrid systems combine the continuous behavior evolution specified by differential equations with discontinuous changes specified by discrete event logic. Usually these systems in the processing industry can be identified as having to depend on discrete decisions regarding their operation. In process control there therefore is a challenge to automate these decisions. A model predictive control (MPC) strategy was proposed and verified for the control of hybrid systems. More specifically, the dynamic matrix control (DMC) framework commonly used in industry for the control of continuous variables

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31

Zhang, Yang 1980. "Improved methods in statistical and first principles modeling for batch process control and monitoring." 2008. http://hdl.handle.net/2152/17920.

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This dissertation presents several methods for improving statistical and first principles modeling capabilities, with an emphasis on nonlinear, unsteady state batch processes. Batch process online monitoring is chosen as a main research area here due to its importance from both theoretical and practical points of view. Theoretical background and recent developments of PCA/PLS-based online monitoring methodologies are reviewed, along with fault detection metrics, and algorithm variations for different applications. The available commercial softwares are also evaluated based on the corresponding

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32

Roussel, Nicolas. "Advanced image segmentation and data clustering concepts applied to digital image sequences featuring the response of biological materials to toxic agents." Thesis, 2003. http://hdl.handle.net/1957/30351.

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Image segmentation is the process by which an image is divided into number of regions. The regions are to be homogeneous with respect to some property. Definition of homogeneity depends mainly on the expected patterns of the objects of interest. The algorithms designed to perform these tasks can be divided into two main families: Splitting Algorithms and Merging Algorithms. The latter comprises seeded region growing algorithms which provide the basis for our work. Seeded region growing methods such as Marker initiated Watershed segmentation depend principally on the quality and relevance of th

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33

"Computational study on the structures, energetics, and reactivity of some novel chemical systems." 2003. http://library.cuhk.edu.hk/record=b5896121.

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Lee Ho-Lam.<br>Thesis (M.Phil.)--Chinese University of Hong Kong, 2003.<br>Includes bibliographical references (leaves 71-72).<br>Abstracts in English and Chinese.<br>Abstract --- p.i<br>Acknowledgements --- p.iii<br>Table of Contents --- p.iv<br>List of Tables --- p.vi<br>List of Figures --- p.vii<br>Chapter Chapter 1 --- Introduction --- p.1<br>Chapter 1.1 --- The Gaussian´ؤ3 Method --- p.1<br>Chapter 1.2 --- "The G2++, a Modified Gaussian-2 Method" --- p.2<br>Chapter 1.3 --- Density Functional Theory (DFT) --- p.2<br>Chapter 1.4 --- Calculation of Thermodynamical Data --- p.3<br>C

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34

Sule, Pushkar Anant. "Studies of chemical speciation of trace metals in natural waters using an on-line electrochemical cell and ion exchange system." Thesis, 1991. http://hdl.handle.net/1957/38060.

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35

Vosloo, John-Roy Ivy. "Development amd implementation of a real-time observer model for mineral processing circuits." Thesis, 2004. http://hdl.handle.net/10413/4325.

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Mineral processing plan ts, such as LONMIN's Eastern Platinum B-stream, typically have few on-line measurements, and key measures of performance such as grade only become available after samples have been analysed in the laboratory. More immediate feedback from a dynamic observer model promises enhanced understanding of the process, and facilitates prompt corrective actions, whether in open or closed loop . Such plant s easily enter sub-optimal modes such as large , uselessly re-circulating loads as the feed conditions change. Interpretation of such modes from key combinations of the variables

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36

Huang, Tzu Hua. "An integrated computational fluid dynamics an kinetics study of ozonation in water treatment." Thesis, 2005. http://hdl.handle.net/10413/5508.

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Computational fluid dynamic (CFO) modelling has been applied to examine the operation of the prc-ozonation system at Wiggins Waterworks, operated by Umgeni Water in Durban, South Africa. Ozonation is employed in water treatment process primarily to achieve the oxidation of iron and manganese, the destruction of micro-organisms and the removal of taste and odour causing compounds. It also aids in the reduction of the colour of the final water, enhancement of algae removal and possible reduction of coagulant demand. A hydrodynamic model has been satisfactorily verified by experimental tracer tes

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37

Praveen, Kumar V. "Design And Synthesis Of Novel Catalysts For The Hydrolysis Of Organophosphates In Nanoaggregates : Experimental And Computational Studies." Thesis, 2005. http://etd.iisc.ernet.in/handle/2005/2389.

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38

Barnett, Jacqueline Lisa. "Residence time methods for modelling and assessing the performance of water treatment processes." Thesis, 1995. http://hdl.handle.net/10413/11267.

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The objective of this study was to provide a technique, based on the residence time distribution of a process, for modelling, assessing and improving flow in the processes of water and waste water treatment works. The technique should be accessible to the staff managing and operating the works. From a review of the literature, a preference was given for the experimental method used for determination of the tracer response, including choice of tracer and tracer addition and monitoring. Data analysis techniques were reviewed, and the method of time domain fitting was developed into a comp

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39

Kabanda, Mwombeki Mwadham. "Computational study of the molecules of selected acylated phloroglucinols in vacuo and in solution." Thesis, 2012. http://hdl.handle.net/11602/67.

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40

Mullan, David James. "Modelling of the tubular filter press process." Thesis, 2000. http://hdl.handle.net/10413/5796.

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The objective of this project was to develop a suitable procedure for the design, control and optimisation of the Tubular Filter Press. To this end, the following objectives were defined for this study: • To extend or improve upon the constant pressure compressible cake filtration model, predictive solution procedure, and standard laboratory characterisation techniques requlred to obtain the empirical model parameters, presented in Rencken (1992). A new generalised area contact constant pressure compressible cake filtration model was developed for both the internal cylindrical and planar filtr

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