Generation & Evaluation of Sustainable Process (retrofit) Alternatives

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1 Generation & Evaluation of Sustainable Process (retrofit) Alternatives Rafiqul Gani CAPEC, Department of Chemical Engineering Technical University of Denmark DK-2800 Lyngby, Denmark

2 Outline Introduction Concepts Definition of indicators Systematic methodology Case studies Conclusions CAPE-Forum, Cluj-Napoca, February

3 Introduction - Concepts Raw material, solvents, water, power, steam, D Chemical Process Sustainability of total system and sub-systems Products, solvents, water, power, steam, unconverted materials, R Sustainability limit time CAPE-Forum, Cluj-Napoca, February

4 Introduction - I Raw material, solvents, water, power, steam, Chemical Process Products, solvents, water, power, steam, unconverted materials, Boundary: process and its connections Compared to a base-case design, generate alternatives that improve the following Operability, energy consumption, waste reduction, environmental impact, safety, cost,. Sustainability metrics (as defined by IChemE): 49 Environmental (resource usage; emissions, effluents, waste), economic (profit, value, tax; investments), societal (workplace, society) CAPE-Forum, Cluj-Napoca, February

5 Introduction - II Raw material, solvents, water, power, steam, Chemical Process Improve the following Operability, energy consumption, waste reduction, environmental impact, safety, cost,. Sustainability metrics (as defined by IChemE) Products, solvents, water, power, steam, unconverted materials, Apply a systematic analysis of the mass and energy paths within the process to determine a set of mass and energy indicators that will help to define attainable targets for improvement; generate alternatives that meet these targets through a reverse approach CAPE-Forum, Cluj-Napoca, February

6 Sustainability Metrics CAPE-Forum, Cluj-Napoca, February

7 Environmental Impact Physical potential impacts (acidification, greenhouse enhancement, ozone depletion and photochemical oxidant depletion) Human toxicity effects (air, water and soil) and eco-toxicity effects (aquatic and terrestrial) The important parameters are: HTPI (Human Toxicity Potential by Ingestion) HTPE (Human Toxicity Potential by Exposure both Dermal and Inhalation) TTP (Terrestrial Toxicity Potential) ATP (Aquatic Toxicity Potential) GWP (Global Warming Potential) ODP (Ozone Depletion Potential) PCOP (Photochemical Oxidation Potential) AP (Acidification Potential) Total PEI (Total Potential Environmental Impact), which indicates the unrealised effect or impact that the emission of mass and energy would have on the environment on average US-EPA War Algorithm (Young et al. 2000) CAPE-Forum, Cluj-Napoca, February

8 Safety Factors Heikkilä, 1999; Dow Index CAPE-Forum, Cluj-Napoca, February

9 Systematic Methodology for Design & Analysis Raw material, solvents, water, power, steam, Start with a reference design Chemical Process Products, solvents, water, power, steam, unconverted materials, Calculate sustainability metrics, safety factors plus mass & energy indicators Identify attainable design targets Indicator targets (for process improvements) Driving forces targets (for generation of alternatives) Apply reverse approach to match design targets Order all feasible solutions to find optimal (conflict resolution) CAPE-Forum, Cluj-Napoca, February

10 Chemical Process Improved Chemical Process Data HYSYS Simulation results ASPEN PLUS Simulation results PRO II Simulation results I.C.A.S. Simulation results PROCESS ANALYSIS TOOLBOX CALCULATE Mass indicators; Energy indicators; Environmental impact; Controllability indicators; Safety indicators; Heat and mass integration; SUSTAINABILITY Metrics Real plant data Costs data ASSIGN TARGATES Sensitivity analysis Select variables Assign indicator ttergates Assign design targets Flow diagram of indicator-based methodology CAPE-Forum, Cluj-Napoca, February

11 Mass & Energy Open- & Closed-paths Sr kg/h s1 15 kg/hr Mixer s2 45 kg/hr Reactor s3 45 kg/hr s4 Separator 15 kg/hr s1 s2 s3 15 kg/hr 15 kg/hr 15 kg/hr Mixer Reactor s4 Separator 15 kg/hr Reactor cooling 3GJ/hr Heat exchanger s1 1 GJ/hr s4 2 GJ/hr s2 3 GJ/hr Reactor S3 4 GJ/hr Heat of reaction 4 GJ/hr CAPE-Forum, Cluj-Napoca, February

12 Mass & Energy Indicators - I CAPE-Forum, Cluj-Napoca, February

13 Mass & Energy Indicators - II CAPE-Forum, Cluj-Napoca, February

14 Mass & Energy Indicators - III CAPE-Forum, Cluj-Napoca, February

15 Model structural analysis CAPE-Forum, Cluj-Napoca, February

16 HDA Case Study Hydrogen reacts with Toluene to produce Benzene. Methane is present as impurity and Biphenyl is produced as a byproduct CAPE-Forum, Cluj-Napoca, February

17 HDA case study: Open- & Closed Paths CAPE-Forum, Cluj-Napoca, February

18 HDA case study: Mass Indicators Indicators for open paths Open path #Component Path Flowrate (kgrq MVA (10 3 $EWC (10 3 $TVA (10 3 $/yr) O1 Methane smi1,ip-dpu,op O2 Hydrogen smi1,ip-dpu,op O3 Benzene src,ir-dpu,op O4 Biphenyl src,ir-dpu,op O5 Toluene smi1,ip-dpu,op O6 Methane src,ir-dpu,op O7 Methane smi1,ip-dds,op O8 Hydrogen smi1,ip-dds,op O9 Benzene src,ir-dds,op O10 Biphenyl src,ir-dds,op O11 Toluene smi1,ip-dds,op O12 Methane src,ir-dds,op O13 Benzene src,ir-ddb,op O14 Biphenyl src,ir-ddb,op O15 Toluene smi1,ip-ddb,op O16 Benzene src,ir-ddt,op O17 Biphenyl src,ir-ddt,op O18 Toluene src,ir-ddt,op O19 Hydrogen smi1,ip-drc,or not defined O20 Toluene smi1,ip-drc,or not defined CAPE-Forum, Cluj-Napoca, February

19 HDA case study: Mass Indicators Indicators for mass cycle paths Cycle path #Component Path Flowrate (kgaf RQ EWC (10 3 $TVA (10 3 $/ C1 Methane Gas cycle C2 Hydrogen Gas cycle C3 Benzene Gas cycle C4 Biphenyl Gas cycle C5 Toluene Gas cycle C6 Methane Liquid cycle C7 Hydrogen Liquid cycle C8 Benzene Liquid cycle C9 Biphenyl Liquid cycle C10 Toluene Liquid cycle C11 Methane Quench cycle C12 Hydrogen Quench cycle C13 Benzene Quench cycle C14 Biphenyl Quench cycle C15 Toluene Quench cycle CAPE-Forum, Cluj-Napoca, February

20 HDA case study The base case for the HDA process flow sheet 2 CAPE-Forum, Cluj-Napoca, February

21 HDA case study The retrofit alternative design for the HDA process flow sheet 2 CAPE-Forum, Cluj-Napoca, February

22 HDA case study: Alternative design (open path) Indicators for open paths Open path #Component Path Flowrate (kgrq MVA (10 3 $EWC (10 3 $TVA (10 3 $/yr) O1 Methane smi1,ip-dpu,op O2 Hydrogen smi1,ip-dpu,op O3 Benzene src,ir-dpu,op O4 Biphenyl src,ir-dpu,op O5 Toluene smi1,ip-dpu,op O6 Methane src,ir-dpu,op O7 Methane smi1,ip-dds,op O8 Hydrogen smi1,ip-dds,op O9 Benzene src,ir-dds,op O10 Biphenyl src,ir-dds,op O11 Toluene smi1,ip-dds,op O12 Methane src,ir-dds,op O13 Benzene src,ir-ddb,op O14 Biphenyl src,ir-ddb,op O15 Toluene smi1,ip-ddb,op O16 Benzene src,ir-ddt,op O17 Biphenyl src,ir-ddt,op O18 Toluene src,ir-ddt,op O19 Hydrogen smi1,ip-drc,or not defined O20 Toluene smi1,ip-drc,or not defined CAPE-Forum, Cluj-Napoca, February

23 HDA case study Indicators for mass cycle paths Cycle path #Component Path Flowrate (kgaf RQ EWC (10 3 $TVA (10 3 $/ C1 Methane Gas cycle C2 Hydrogen Gas cycle C3 Benzene Gas cycle C4 Biphenyl Gas cycle C5 Toluene Gas cycle C6 Methane Liquid cycle C7 Hydrogen Liquid cycle C8 Benzene Liquid cycle C9 Biphenyl Liquid cycle C10 Toluene Liquid cycle C11 Methane Quench cycle C12 Hydrogen Quench cycle C13 Benzene Quench cycle C14 Biphenyl Quench cycle C15 Toluene Quench cycle Mass indicators value for cycle paths in the alternative design CAPE-Forum, Cluj-Napoca, February

24 HDA case study A simple economical study including all the associate cost with the HDA process was performed also: The values shows the improvement obtained by mass indicators analysis The base design: Benefit = (k$/year) The alternative design: Benefit = 2309 (k$/year) CAPE-Forum, Cluj-Napoca, February

25 Sustainability Metrics Base Case Generated Alternative CAPE-Forum, Cluj-Napoca, February

26 Environmental Impact Base Case Generated Alternative CAPE-Forum, Cluj-Napoca, February

27 Safety Factors Base Case & Generated Alternative Out of 53 Dow CEI = mg/m 3 ; HD 1 > m, HD 2 = m CAPE-Forum, Cluj-Napoca, February

28 Conclusions and future work A systematic model-based method to generate alternatives that make the improves the ability of the process to be flexible and adapt to future demands has been developed and tested use of models in reverse approach The indicators point to process/operation alternatives that affects the sustainability metrics parameters in the desired direction, avoiding, thereby, tradeoffs in design (decisions) The models and methodology are generic and can easily be applied in other sectors targeted design Methods and tools from various groups have been integrated to generate sustainable alternatives Industrial process flowsheets are being labelled in terms of their potential for improvement CAPE-Forum, Cluj-Napoca, February

29 Acknowledgements Collaboration: ETH-Zurich, Texas A&M Methods & Tools: US-EPA, CapSolva, PhD- & MSc-students Funding: Danish Funding Agency, CAPEC member companies CAPE-Forum, Cluj-Napoca, February