An accurate model for RO process has significant importance in the simulation and optimization proposes. A steady state model of RO process is developed based on solution diffusion theory to describe the permeation through membrane and thin film approach is used to describe the concentration polarization. The model is validated against the operation data reported in the literature. For the sake of clear understanding of the interaction of feed temperature and salinity on the design and operation of RO based desalination systems, simultaneous optimization of design and operation of RO network is investigated based on two-stage RO superstructure via MINLP approach. Different cases with several feed concentrations and seasonal variation of seawater temperature are presented. Also, the possibility of flexible scheduling in terms of the number of membrane modules required in operation in high and low temperature seasons is investigated A simultaneous modelling and optimization method for RO system including boron removal is then presented. A superstructure of the RO network is developed based on double pass RO network (two-stage seawater pass and one-stage brackish water pass). The MINLP problem based on the superstructure is used to find out an optimal RO network which will minimize the total annualized cost while fulfilling a given boron content limit. The effect of pH on boron rejection is investigated at deferent seawater temperatures. The optimal operation policy of RO system is then studied in this work considering variations in freshwater demand and with changing seawater temperature throughout the day. A storage tank is added to the RO layout to provide additional operational flexibility and to ensure the availability of freshwater at all times. Two optimization problems are solved incorporating two seawater temperature profiles, representing summer and winter seasons. The possibility of flexible scheduling of cleaning and maintenance of membrane modules is investigated. Then, the optimal design and operation of RO process is studied in the presence of membrane fouling and including several operational variations such as variable seawater temperature. The cleaning schedule of single stage RO process is formulated as MINLP problem using spiral wound modules. NNs based correlation has been developed based on the actual fouling data which can be used for estimating the permeability decline factors. The correlation based on actual data to predict the annual seawater temperature profile is also incorporated in the model. The proposed optimization procedure identified simultaneously the optimal maintenance schedule of RO network including its design parameters and operating policy. The steady state model of RO process is used to study the sensitivity of different operating and design parameters on the plant performance. A non-linear optimization problem is formulated to minimize specific energy consumption at fixed product flow rate and quality while optimizing the design and operating parameters. Then the MINLP formulation is used to find the optimal designs of RO layout for brackish water desalination. A variable fouling profile along the membrane stages is introduced to see how the network design and operation of the RO system are to be adjusted Finally, a preliminary control strategy for RO process is developed based on PID control algorithm and a first order transfer function (presented in the Appendix).

Among many seawater desalination processes, the multistage flash (MSF) desalination process is a major source of fresh water around the world. The most costly design and operation problem in seawater desalination is due to scale formation and corrosion problems. Fouling factor is one of the many important parameters that affect the operation of MSF processes. This thesis therefore focuses on determining the optimal design and operation strategy of MSF desalinations processes under fouling which will meet variable demand of freshwater. First, a steady state model of MSF is developed based on the basic laws of mass balance, energy balance, and heat transfer equations with supporting correlations for physical properties. gPROMS software is used to develop the model which is validated against the results reported in the literature. The model is then used in further investigations. Based on actual plant data, a simple dynamic fouling factor profile is developed which allows calculation of fouling factor at different time (season of the year). The role of changing brine heater fouling factor with varying seawater temperatures (during the year) on the plant performance and the monthly operating costs for fixed water demand and fixed top brine temperature are then studied. The total monthly operation cost of the process are minimised while the operating parameters such as make up, brine recycle flow rate and steam temperature are optimised. It was found that the seasonal variation in seawater temperature and brine heater fouling factor results in significant variations in the operating parameters and operating costs. The design and operation of the MSF process are optimized in order to meet variable demands of freshwater with changing seawater temperature throughout the day and throughout the year. On the basis of actual data, the neural network (NN) technique has been used to develop a correlation for calculating dynamic freshwater demand/consumption profiles at different times of the day and season. Also, a simple polynomial based dynamic seawater temperature correlation is developed based on actual data. An intermediate storage tank between the plant and the client is considered. The MSF process model developed earlier is coupled with the dynamic model for the storage tank and is incorporated into the optimization framework within gPROMS. Four main seasons are considered in a year and for each season, with variable freshwater demand and seawater temperature, the operating parameters are optimized at discrete time intervals, while minimizing the total daily costs. The intermediate storage tank adds flexible scheduling and maintenance opportunity of individual flash stages and makes it possible to meet variable freshwater demand with varying seawater temperatures without interrupting or fully shutting down the plant at any-time during the day and for any season. Finally, the purity of freshwater coming from MSF desalination plants is very important when the water is used for industrial services such as feed of boiler to produce steam. In this work, for fixed water demand and top brine temperature, the effect of separation efficiency of demister with seasonal variation of seawater temperatures on the final purity of freshwater for both cleaned and fouled demister conditions is studied. It was found that the purity of freshwater is affected by the total number of stages. Also to maintain the purity of freshwater product, comparatively large number of flash stage is required for fouled demister.

An accurate model for RO process has significant importance in the simulation and optimization proposes. A steady state model of RO process is developed based on solution diffusion theory to describe the permeation through membrane and thin film approach is used to describe the concentration polarization. The model is validated against the operation data reported in the literature. For the sake of clear understanding of the interaction of feed temperature and salinity on the design and operation of RO based desalination systems, simultaneous optimization of design and operation of RO network is investigated based on two-stage RO superstructure via MINLP approach. Different cases with several feed concentrations and seasonal variation of seawater temperature are presented. Also, the possibility of flexible scheduling in terms of the number of membrane modules required in operation in high and low temperature seasons is investigated A simultaneous modelling and optimization method for RO system including boron removal is then presented. A superstructure of the RO network is developed based on double pass RO network (two-stage seawater pass and one-stage brackish water pass). The MINLP problem based on the superstructure is used to find out an optimal RO network which will minimize the total annualized cost while fulfilling a given boron content limit. The effect of pH on boron rejection is investigated at deferent seawater temperatures. The optimal operation policy of RO system is then studied in this work considering variations in freshwater demand and with changing seawater temperature throughout the day. A storage tank is added to the RO layout to provide additional operational flexibility and to ensure the availability of freshwater at all times. Two optimization problems are solved incorporating two seawater temperature profiles, representing summer and winter seasons. The possibility of flexible scheduling of cleaning and maintenance of membrane modules is investigated. Then, the optimal design and operation of RO process is studied in the presence of membrane fouling and including several operational variations such as variable seawater temperature. The cleaning schedule of single stage RO process is formulated as MINLP problem using spiral wound modules. NNs based correlation has been developed based on the actual fouling data which can be used for estimating the permeability decline factors. The correlation based on actual data to predict the annual seawater temperature profile is also incorporated in the model. The proposed optimization procedure identified simultaneously the optimal maintenance schedule of RO network including its design parameters and operating policy. The steady state model of RO process is used to study the sensitivity of different operating and design parameters on the plant performance. A non-linear optimization problem is formulated to minimize specific energy consumption at fixed product flow rate and quality while optimizing the design and operating parameters. Then the MINLP formulation is used to find the optimal designs of RO layout for brackish water desalination. A variable fouling profile along the membrane stages is introduced to see how the network design and operation of the RO system are to be adjusted Finally, a preliminary control strategy for RO process is developed based on PID control algorithm and a first order transfer function (presented in the Appendix). / Government grant

Desalination technology provides fresh water to the arid regions around the world. Multi-Stage Flash (MSF) distillation process has been used for many years and is now the largest sector in the desalination industry. Top Brine Temperature (TBT) (boiling point temperature of the feed seawater in the first stage of the process) is one of the many important parameters that affect optimal design and operation of MSF processes. For a given pressure, TBT is a function of Boiling Point Temperature (BPT) at zero salinity and Temperature Elevation (TE) due to salinity. Modelling plays an important role in simulation, optimisation and control of MSF processes and within the model, calculation of TE is therefore important for each stages (including the first stage, which determines the TBT). Firstly, in this work, several Neural Network (NN) based correlations for predicting TE are developed. It is found that the NN based correlations can predict the experimental TE very closely. Also predictions of TE by the NN based correlations were found to be good when compared to those obtained using the existing correlations from the literature. Secondly, a hybrid steady state MSF process model is developed using gPROMS modelling tool embedding the NN based correlation. gPROMS provides an easy and flexible platform to build a process flowsheet graphically. Here a Master Model connecting (automatically) the individual unit model (brine heater, stages, etc.) equations is developed which is used repeatedly during simulation and optimisation. The model is validated against published results. Seawater is the main source raw material for MSF processes and is subject to seasonal temperature variation. With fixed design the model is then used to study the effect of a number of parameters (e.g. seawater and steam temperature) on the freshwater production rate. It is observed that, the variation in the parameters affect the rate of production of fresh water. How the design and operation are to be adjusted to maintain a fixed demand of fresh water through out the year (with changing seawater temperature) is also investigated via repetitive simulation. Thirdly, with clear understanding of the interaction of design and operating parameters, simultaneous optimisation of design and operating parameters of MSF process is considered via the application MINLP technique within gPROMS. Two types of optimisation problems are considered: (a) For a fixed fresh water demand throughout the year, the external heat input (a measure of operating cost) to the process is minimised; (b) For different fresh water demand throughout the year and with seasonal variation of seawater temperature, the total annualised cost of desalination is minimised. It is found that seasonal variation in seawater temperature results in significant variation in design and some of the operating parameters but with minimum variation in process temperatures. The results also reveal the possibility of designing stand-alone flash stages which would offer flexible scheduling in terms of the connection of various units (to build up the process) and efficient maintenance of the units throughout the year as the weather condition changes. In addition, operation at low temperatures throughout the year will reduce design and operating costs in terms of low temperature materials of construction and reduced amount of anti-scaling and anti-corrosion agents. Finally, an attempt was made to develop a hybrid dynamic MSF process model incorporating NN based correlation for TE. The model was validated at steady state condition using the data from the literature. Dynamic simulation with step changes in seawater and steam temperature was carried out to match the predictions by the steady state model. Dynamic optimisation problem is then formulated for the MSF process, subjected to seawater temperature change (up and down) over a period of six hours, to maximise a performance ratio by optimising the brine heater steam temperature while maintaining a fixed water demand.

The fast growth in the demand of freshwater due to the scarcity of natural water and increase in the world population puts more stress on the desalination sectors, which requires the installation of high-efficient thermal desalination plants. Among these desalination plants, multi effect desalination (MED) and RO processes are considered as the most reliable techniques of producing freshwater from saline water. Recently, the MED and RO process have been introduced in hybrid systems. However, this includes the development of simple superstructures of the hybrid system in spite of the improvement made beyond the individual process. To overcome this challenge, this dissertation comes to fill this gap and investigates appropriate methods of optimising the operational parameters of the hybrid system. In this regard, several innovative ideas are demonstrated for the first time to enhance the MED process, which are specifically include the improvement of key performance indicators including water production cost via a repetitive simulation based model. In line of this, the investigation of the lowest water production cost for different numbers of effects of MED system is carried out via optimisation based model. To deploy a sustainable source of energy, this research illustrates the combined system of MED-TVC and wind turbine with attaining a considerable reduction of specific energy consumption. Also, this research presents two novel designs of hybrid system of MED and single and double RO processes of different configurations that contain permeate reprocessing design and retentate reprocessing design of RO process. These layouts demonstrate a considerable reduction of total energy consumption within an accepted product salinity compared to the ones presented in the open literature. To apply the energy-water concept for a smart city, this research emphasises on the design moderation and process optimisation of the MED-TVC and double RO processes to generate different grades of water. Moreover, the structure of this dissertation introduces a revision of the steady state MED and RO modelling. This in turn provides an efficient hybrid system for seawater desalination by refining the reliability and efficiency of the associated process. The results stated the following findings; It can be stated that 17 effects of MED-TVC system is suitable to achieve the lowest fresh water production cost of 0.614 $/m3. However, the implication of particle swarm optimisation method has further introduced the freshwater production cost from 0.614 $/m3 to 0.432 $/m3 by investigating the optimal operating conditions for the 17 effects. Also, this research introduces that Dhahran is more potential compared to Jeddah in the KSA to construct an integration system of MED-TVC and a renewable energy source of wind turbine that presents the lowest specific energy consumption. This research also shows that the new proposed design of MED-TVC and single permeate reprocessing RO processes has a lower energy consumption of around 2.2% if compared to other configurations suggested in the open literature. Further reduction of this energy consumption has been conducted after optimising the inlet conditions of the hybrid system of MED-TVC and permeate reprocessing RO processes. The novel design of double RO and MED-TVC introduces an improvement of water productivity of 9%, corresponding to a reduction of brine flowrate within 5% compared to the base case of permeate reprocessing RO (PRRO) and MED-TVC. Finally, this research presents the improvement of different scenarios of MED-TVC and double RO processes to quantify the production of different types of water with fulfilling the environmental concepts.

Batch distillation with chemical reaction when takes place in the same unit is referred to as batch reactive distillation process. The combination reduces the capital and operating costs considerably. Among many different types of batch reactive distillation column configurations, (a) conventional (b) inverted (c) semi-batch columns are considered here. Three reaction schemes such as (a) esterification of methanol (b) esterification of ethanol (c) hydrolysis of methyl lactate are studied here. Four different types of dynamic optimisation problems such as (a) maximum conversion (b) maximum productivity (c) maximum profit and (d) minimum time are formulated in this work. Optimal design and or operation policies are obtained for all the reaction schemes. A detailed rigorous dynamic model consisting of mass, energy balances, chemical reaction and thermodynamic properties is considered for the process. The model was incorporated within the dynamic optimisation problems. Control Vector Parameterisation (CVP) technique was used to convert the dynamic optimisation problem into a nonlinear programming problem which was solved using efficient SQP (Successive Quadratic Programming) method available within the gPROMS (general PROcess Modelling System) software. It is observed that multi-reflux ratio or linear reflux operation always led to better performance in terms of conversion, productivity for all reaction schemes compared to that obtained using single reflux operation. Feed dilution (in the case of ethanol esterification) led to more profit even though productivity was found to be lower. This was due to reduction in feed price because of feed dilution. Semi-batch reactive distillation opertation (for ethanol esterification) led to better conversion compared to conventional batch distillation, however, the total amount of acetic acid (reactant) was greater in semi-batch operation. Optimisation of design and operation (for ethanol esterification) clearly showed that a single cloumn will not lead to profitable operation for all possible product demand profile. Also change in feed and /or product price may lead to adjust the production target to maximise the profitability. In batch distillation, total reflux operation is recommended or observed at the begining of the operation (as is the case for methnaol or ethanol esterification). However, in the case of hydrolysis, total reflux operation was obseved at the end of the operation. This was due to lactic acid (being the heaviest) was withrawn as the final bottom product.

Dynamic modelling and optimization of three different processes namely (a) bulk polymerization of styrene, (b) solution polymerization of methyl methacrylate (MMA) and (c) emulsion copolymerization of Styrene and MMA in batch and semi-batch reactors are the focus of this work. In this work, models are presented as sets of differential-algebraic equations describing the process. Different optimization problems such as (a) maximum conversion (Xn), (b) maximum number average molecular weight (Mn) and (c) minimum time to achieve the desired polymer molecular properties (defined as pre-specified values of monomer conversion and number average molecular weight) are formulated. Reactor temperature, jacket temperature, initial initiator concentration, monomer feed rate, initiator feed rate and surfactant feed rate are used as optimization variables in the optimization formulations. The dynamic optimization problems were converted into nonlinear programming problem using the CVP techniques which were solved using efficient SQP (Successive Quadratic Programming) method available within the gPROMS (general PROcess Modelling System) software. The process model used for bulk polystyrene polymerization in batch reactors, using 2, 2 azobisisobutyronitrile catalyst (AIBN) as initiator was improved by including the gel and glass effects. The results obtained from this work when compared with the previous study by other researcher which disregarded the gel and glass effect in their study which show that the batch time operation are significantly reduced while the amount of the initial initiator concentration required increases. Also, the termination rate constant decreases as the concentration of the mixture increases, resulting rapid monomer conversion. The process model used for solution polymerization of methyl methacrylate (MMA) in batch reactors, using AIBN as the initiator and Toluene as the solvent was improved by including the free volume theory to calculate the initiator efficiency, f. The effects of different f was examined and compared with previous work which used a constant value of f 0.53. The results of these studies show that initiator efficiency, f is not constant but decreases with the increase of monomer conversion along the process. The determination of optimal control trajectories for emulsion copolymerization of Styrene and MMA with the objective of maximizing the number average molecular weight (Mn) and overall conversion (Xn) were carried out in batch and semi-batch reactors. The initiator used in this work is Persulfate K2S2O8 and the surfactant is Sodium Dodecyl Sulfate (SDS). Reduction of the pre-batch time increases the Mn but decreases the conversion (Xn). The sooner the addition of monomer into the reactor, the earlier the growth of the polymer chain leading to higher Mn. Besides that, Mn also can be increased by decreasing the initial initiator concentration (Ci0). Less oligomeric radicals will be produced with low Ci0, leading to reduced polymerization loci thus lowering the overall conversion. On the other hand, increases of reaction temperature (Tr) will decrease the Mn since transfer coefficient is increased at higher Tr leading to increase of the monomeric radicals resulting in an increase in termination reaction.

Batch distillation with chemical reaction when takes place in the same unit is referred to as batch reactive distillation process. The combination reduces the capital and operating costs considerably. Among many different types of batch reactive distillation column configurations, (a) conventional (b) inverted (c) semi-batch columns are considered here. Three reaction schemes such as (a) esterification of methanol (b) esterification of ethanol (c) hydrolysis of methyl lactate are studied here. Four different types of dynamic optimisation problems such as (a) maximum conversion (b) maximum productivity (c) maximum profit and (d) minimum time are formulated in this work. Optimal design and or operation policies are obtained for all the reaction schemes. A detailed rigorous dynamic model consisting of mass, energy balances, chemical reaction and thermodynamic properties is considered for the process. The model was incorporated within the dynamic optimisation problems. Control Vector Parameterisation (CVP) technique was used to convert the dynamic optimisation problem into a nonlinear programming problem which was solved using efficient SQP (Successive Quadratic Programming) method available within the gPROMS (general PROcess Modelling System) software. It is observed that multi-reflux ratio or linear reflux operation always led to better performance in terms of conversion, productivity for all reaction schemes compared to that obtained using single reflux operation. Feed dilution (in the case of ethanol esterification) led to more profit even though productivity was found to be lower. This was due to reduction in feed price because of feed dilution. Semi-batch reactive distillation opertation (for ethanol esterification) led to better conversion compared to conventional batch distillation, however, the total amount of acetic acid (reactant) was greater in semi-batch operation. Optimisation of design and operation (for ethanol esterification) clearly showed that a single cloumn will not lead to profitable operation for all possible product demand profile. Also change in feed and /or product price may lead to adjust the production target to maximise the profitability. In batch distillation, total reflux operation is recommended or observed at the begining of the operation (as is the case for methnaol or ethanol esterification). However, in the case of hydrolysis, total reflux operation was obseved at the end of the operation. This was due to lactic acid (being the heaviest) was withrawn as the final bottom product. / Libyan Petroleum Institute

Dynamic modelling and optimization of three different processes namely (a) bulk polymerization of styrene, (b) solution polymerization of methyl methacrylate (MMA) and (c) emulsion copolymerization of Styrene and MMA in batch and semi-batch reactors are the focus of this work. In this work, models are presented as sets of differential-algebraic equations describing the process. Different optimization problems such as (a) maximum conversion (Xn), (b) maximum number average molecular weight (Mn) and (c) minimum time to achieve the desired polymer molecular properties (defined as pre-specified values of monomer conversion and number average molecular weight) are formulated. Reactor temperature, jacket temperature, initial initiator concentration, monomer feed rate, initiator feed rate and surfactant feed rate are used as optimization variables in the optimization formulations. The dynamic optimization problems were converted into nonlinear programming problem using the CVP techniques which were solved using efficient SQP (Successive Quadratic Programming) method available within the gPROMS (general PROcess Modelling System) software. The process model used for bulk polystyrene polymerization in batch reactors, using 2, 2 azobisisobutyronitrile catalyst (AIBN) as initiator was improved by including the gel and glass effects. The results obtained from this work when compared with the previous study by other researcher which disregarded the gel and glass effect in their study which show that the batch time operation are significantly reduced while the amount of the initial initiator concentration required increases. Also, the termination rate constant decreases as the concentration of the mixture increases, resulting rapid monomer conversion. The process model used for solution polymerization of methyl methacrylate (MMA) in batch reactors, using AIBN as the initiator and Toluene as the solvent was improved by including the free volume theory to calculate the initiator efficiency, f. The effects of different f was examined and compared with previous work which used a constant value of f 0.53. The results of these studies show that initiator efficiency, f is not constant but decreases with the increase of monomer conversion along the process. The determination of optimal control trajectories for emulsion copolymerization of Styrene and MMA with the objective of maximizing the number average molecular weight (Mn) and overall conversion (Xn) were carried out in batch and semi-batch reactors. The initiator used in this work is Persulfate K2S2O8 and the surfactant is Sodium Dodecyl Sulfate (SDS). Reduction of the pre-batch time increases the Mn but decreases the conversion (Xn). The sooner the addition of monomer into the reactor, the earlier the growth of the polymer chain leading to higher Mn. Besides that, Mn also can be increased by decreasing the initial initiator concentration (Ci0). Less oligomeric radicals will be produced with low Ci0, leading to reduced polymerization loci thus lowering the overall conversion. On the other hand, increases of reaction temperature (Tr) will decrease the Mn since transfer coefficient is increased at higher Tr leading to increase of the monomeric radicals resulting in an increase in termination reaction.

The rapid increase in the demand on fresh water due the increase in the world population and scarcity of natural water puts more stress on the desalination industrial sector to install more desalination plants around the world. Among these desalination plants, multistage flash desalination process (MSF) is considered to be the most reliable technique of producing potable water from saline water. In recent years, however, the MSF process is confronting many problems to cut off the cost and increase its performance. Among these problems are the non-condensable gases (NCGs) and the accumulation of fouling which they work as heat insulation materials. As a result, the MSF pumps and the heat transfer equipment are overdesigned and consequently increase the capital cost and decrease the performance of the plants. Moreover, improved process control is a cost effective approach to energy conservation and increased process profitability. Thus, this study is motivated by the real absence of detailed kinetic fouling model and implementation of advance process control (APC). To accomplish the above tasks, commercial modelling tools can be utilized to model and simulate MSF process taking into account the NCGs and fouling effect, and optimum control strategy. In this research, gPROMS (general PROcess Modeling System) model builder has been used to develop the MSF process model. First, a dynamic mathematical model of MSF is developed based on the basic laws of mass balance, energy balance and heat transfer. Physical and thermodynamic properties of brine, distillate and water vapour are included to support the model. The model simulation results are validated against actual plant data published in the literature and good agreement with these data is obtained. Second, the design of venting system in MSF plant and the effect of NCGs on the overall heat transfer coefficient (OHTC) are studied. The release rate of NCGs is studied using Henry’s law and the locations of venting points are optimised. The results reveal that high concentration of NCGs heavily affects the OHTC. Furthermore, advance control strategy namely: generic model control (GMC) is designed and introduced to the MSF process to control and track the set points of the two most important variables in the MSF plant; namely the Top Brine Temperature (TBT) which is the output temperature of the brine heater and the Brine Level (BL) in the last stage. The results are compared to conventional Proportional Integral Derivative Controller (PID) and show that GMC controller provides better performance over conventional PID controller to handle a nonlinear system. In addition, a new control strategy called hybrid Fuzzy-GMC is developed and implemented to control the same aforementioned loops. Its results reveal that the new control outperforms the pure GMC in some areas. Finally, a dynamic fouling model is developed and incorporated into the MSF dynamic process model to predict fouling at high temperature and high velocity. The proposed dynamic model considers the attachment and removal mechanisms of calcium carbonate and magnesium hydroxide with more relaxation of the assumptions. Since the MSF plant stages work as a series of heat exchangers, there is a continuous change of temperature, heat flux and salinity of the seawater. The proposed model predicts the behaviour of fouling based on the physical and thermal conditions of every single stage of the plant.