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Elroy is Here to Stay. …A few words about UNIFAC… Interaction parameters for VLE ■ Fredenslund A, Gmehling J, Rasmussen P. 1977. Vapor- Liquid Equilibria.

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Presentation on theme: "Elroy is Here to Stay. …A few words about UNIFAC… Interaction parameters for VLE ■ Fredenslund A, Gmehling J, Rasmussen P. 1977. Vapor- Liquid Equilibria."— Presentation transcript:

1 Elroy is Here to Stay

2 …A few words about UNIFAC… Interaction parameters for VLE ■ Fredenslund A, Gmehling J, Rasmussen P. 1977. Vapor- Liquid Equilibria Using UNIFAC. Elsevier, Amsterdam. ■ Hansen HK, et sl. 1991. Ind. Eng. Chem. Res. 30:2352–2355 ■ Wittig R, et al. 2003. Ind. Eng. Chem. Res. 42:183–188 Interaction parameters for LLE ■ Magnussen T, et al., HK, et sl. 1981. Ind. Eng. Chem. Fund. 20:331–339 Interaction parameters for heats of mixing ■ Dang D, Tassios DP. 1986. Ind. Eng. Chem. Process Des. Dev. 25:22–31

3 Interaction parameters (for VLE) Smith et al. 1996 Poling et al. 2001

4 CH 3 OH + H 2 O Soup of CH 3, OH and H 2 O groups Soup of CH 3 OH and H 2 O groups (molecules) CH 3 OH H2OH2O CH 3 OH H2OH2O H2OH2O H2OH2O

5 Design Project: Polylactic Acid Preliminary design and economic analysis for a plant producing 300 million lb/yr of polylactic acid polymer from a feed stream of crude lactic acid. Technical and economic aspects of design Procedural aspects of course Haven’t I seen this somewhere before?

6 Technical and economic aspects of design Advantages of polylactic acid Seriously cool biodegradable thermoplastic polymer. To be addressed by YOU in Interim Report #0

7 Direct polymerization of lactic acid? Um… NO! Polymerization Condensation reaction Rate decreases with increasing MW Depolymerization reaction Creates cyclic dimer lactide (“dilactide”)

8 Polymerization of lactide Polymerization Ring opening Low-MW poly(lactic acid) = pre-polymer = source of lactide Pre-polymer MW 1,000–5,000 (400–2500)  1,000 Decent high-MW PLA: MW > 100,000

9 Poly( L -lactic acid), PLLA “The L -isomer constitutes the main fraction of PLA derived from renewable sources since the majority of lactic acid from biological sources exists in this form.” “PLA polymers with L -content greater than ∼ 90% tend to be crystalline while those with lower optical purity are amorphous.” Lim LT, et al. 2008. Progress in Polymer Science 33:820–852

10 “PLA articles which require heat resistant properties can be injection molded using PLA resins of less than 1% D -isomer.” (Lim LT, et al. 2008. Progress in Polymer Science 33:820–852) Design project Pretend as if L -isomer is the only one that exists. Can use D - properties. Real life: minimize racemization by minimizing residence time and avoiding high temperature (< ~200 o C for PLLA)

11 Process (22) + (38) Gruber PR, et at. 2001. US Patent No. 6,326,458 B1

12 Evaporator/pre-polymer reactor Falling film, agitated thin-film, wiped film Multiple effects Vacuum to reduce minimize racemization E.g. falling film – one pass down inner walls of tube. Good for heat sensitive materials, viscous liquids. Less detail in design (except for five- member groups)

13 Evaporators Falling film Horizontal wiped film McCabe LT, et al. 2001. Towler G, Sinnott R. 2008.

14 Do we need to talk about evaporators?

15 Lactide reactor (evaporator) Will be supplying more information about reaction and catalyst (tin(IV) butyl-tin tris(2-ethylhexanoate); FASCAT® 9102, Atochem North America Inc.). Watch Update page. Feed 180–250 o C Pressure 2–60 mm Hg Residence time 2 – 10 min Film thickness 0.5–8 mm

16 Physical properties Lim LT, et al. 2008. Progress in Polymer Science 33:820–852

17 Do we need to talk about mass transfer with chemical reaction?

18 Distillation Components: lactide, lactic acid, water Condenser temperature (and therefore pressure) is limited by cooling water temperature Reboiler temperature (and therefore pressure) is limited by maximum tolerable temperature (avoid decomposition, polymerization) Avoid freezing of all components Must establish all pure-component phase diagrams, and find suitable operating window

19 Must feed UniSim accurate vapor pressure and activity coefficient parameters Consider pressure drop (trays versus packing)

20 We do not need to talk about distillation.

21 Points to watch for Low pressure process. Lecture on vacuum systems. Tight system. Energy integration.

22 Required level of detail in technical design Evaporators/reactors Specify type; size/dimensions; temperature, pressure and composition of input and output lactic acid/polylactic acid streams, and output vapor stream; and required amount of steam. The requirements for your design of the evaporator/pre-polymer reactor (i.e., the unit combining the functions of (22) and (38)) are relaxed in the sense that it may be a rough estimate. For the lactide reactor (60) you must present a more detailed design. In particular, you must specifically determine a film thickness based on mass transfer considerations, and incorporate this choice into your design.

23 The choice of lactic acid feed, and the pressure and basic configuration for the evaporator/pre-polymer reactor and lactide reactor must be established by 9 March (Decision Point 1). Note: five-member groups must develop a more detailed design also for the evaporator/pre-polymer reactor.

24 Distillation column You must develop a detailed design of the distillation column specifying reflux ratio and boilup ratio; temperature, pressure and composition of feed, distillate and bottom product streams; column height above feed and below feed, and column diameter; type of packing or trays; and thermal duty and heat transfer area for reboiler and condenser. The distillation is a particularly important part of the process. Calculations can be made by yourself or using UniSim. If you use UniSim, then you must provide it with substantial amounts of physicochemical property data on lactide, which is not included in the library of available components. Relying on the base estimation package based only on MW and boiling point will be grossly inaccurate and therefore unacceptable.

25 You must also carefully check the properties of lactic acid, and augment them as necessary. Start the distillation model early to be sure you produce a converged model that reasonably approximates reality. Do not underestimate the amount of work involved in getting this unit operation right. If you use UniSim, then you must also prepare one or more McCabe-Thiele diagrams that explain your design and roughly check the numbers. The pressure, VLE data and configuration for your distillation process must be reported by 30 March (Decision Point 2).

26 Heat exchangers Determine and state thermal duty, heat transfer area, temperature and pressure of input and output streams, and type of heat exchanger. Fluid lines Your design must include sizes of all lines between units (must be standard sizes), and pump power for each line. These specifications must be reported by 20 April (Decision Point 3). You must also specifically select the pump for the line from the hold tank (44) to the lactide reactor (60). (The term “fluid transfer mechanism” used throughout Gruber et al.’s patent means pump.)

27 Flow sheet Your completed design (and in particular, report) must contain a neat, computer-generated, detailed flow diagram. It should resemble Towler and Sinnott’s Figure 2.8 (p. 39). It may not be a UniSim flowsheet.

28 Streams must be labeled, with information about each stream (temperature, pressure, phase, composition) tabulated below by number. Information must be given in units customary among engineers in this country (not Planet X on the galactic rim), i.e., flow rates in lb/h or kg/h, pressures in psi or kPa, temperatures in °F or °C, dimensions in ft or m, and pipe sizes in in. Although you might use other units in calculations, they must be converted into acceptable units in your final presentation. Also, you should retain extra significant figures in order not to let round-off error corrupt your calculations. However, you should ultimately report only a reasonable number of digits. Net: a flow rate expressed as, e.g., 1.344789002 × 10 8 g/week WILL NOT FLY with Elroy or any of your project supervisors.

29 Givens (a) Materials available Lactic acid at $0.69/lb for 50% solution, $0.78/lb for 88% solution, f.o.b. FASCAT® at $12/lb, f.o.b. (b) Services available Steam, 150 psig, saturated: $15 / 1000 kg Cooling water, 60 psig, 30 °C supply, 40 °C return: $0.20 / 1000 gal Process water (chilled), 60 psig, 15 °C: $1.50 / 1000 gal Electricity: $0.06 / kWh Wastewater treatment: $3.00 / 1000 gal

30 (c) Product specification Polylactic acid (PLA), 200,000 MW, sells for $1.00/lb (d) On stream time Assume 8000 hours / year

31 Economic analysis Assume 20-year project life, 6% annual effective interest rate, 40% tax rate. Results and criteria specifically to be addressed in your final report are: fixed and working capital investment, manufacturing cost, and revenue; return on investment (minimum acceptable 15% after income tax), and net present value. Base capital cost estimates mainly on tables in Towler and Sinnott (especially Table 7.1 (pp. 314–317) and Table 7.2 (pp. 322–324)), which yield reasonable study estimates. Do NOT expend effort contacting actual vendors for quotations on specific pieces of equipment.

32 As with process stream variables, figures from the economic analysis should be reported with a reasonable number of digits, especially as your cost estimates will be subject to ±30% error or more. In other words, report e.g. a net present value as $12,400,000, not $12,364,078.92.


34 …just reminding us that Elroy is here to stay…

35 Procedural aspects of course Industrial participants Paul Ameis (VanDeMark Chemical) Dr. David Courtemanche (Dupont) Dr. Rich Fickelscherer (Falconeer) Dr. Vasilis Papavassiliou (Praxair) Dr. William Schatmach (Praxair)

36 Regular meetings and progress reports Meetings with project supervisors Schedule Sign-up sheets posted on MN’s office door; sign up early Must talk with four different supervisors during semester All members of group must be present at meeting (grade penalty for absence) Bring questions Meeting #Week ofGroup meetings with 009 FebruaryHutch 123 FebruaryAmeis, Fickelscherer, Papavassiliou, Scharmach 209 MarchAmeis, Fickelscherer, Papavassiliou, Scharmach 330 MarchAmeis, Fickelscherer, Papavassiliou, Scharmach 420 AprilAmeis, Courtemanche, Fickelscherer, Papavassiliou, Scharmach

37 Progress reports Schedule & contents Must be received in time for supervisors to have a look before meeting. Also bring paper copy to meeting. ReportEmail due date Mtg. due date Contents Interim #009 Feb. by 4:00 pm Bring to Mtg. #0 Introduction and literature review; solutions of VLE problems posed Interim #123 Feb. by 4:00 pm Bring to Mtg. #1 Preliminary definition of process streams and units; preliminary flow sheet Interim #209 Mar. by 4:00 pm Bring to Mtg. #2 Flow sheet with all mass and energy balances completed; analysis of production costs and revenues; Decision Point 1 — Choice of feed, and evaporation parameters determined Interim #330 March by 4:00 pm Bring to Mtg. #3 Preliminary economic evaluation of flow sheet; Decision Point 2 — distillation parameters determined Interim #420 April by 4:00 pm Bring to Mtg. #4 Provisional final flow sheet with all mass and energy balances completed; designs as requested for all process units; provisional final economic evaluation; Decision Point 3 — line sizes determined, and specified pump selected Final report4 May by 4:00 pm Final report

38 Composition of grade for design project Component% of grade Report #0 2 Meeting #0 (preparedness and quality of discussion) 1 Report #1 3 Meeting #1 (preparedness and quality of discussion) 2 Report #2 3 Meeting #2 (preparedness and quality of discussion) 2 Report #3 3 Meeting #3 (preparedness and quality of discussion) 2 Report #4 3 Meeting #4 (preparedness and quality of discussion) 2 Final Report67 Final Presentation 5 SEAS Senior Design Expo 5

39 Calendar

40 Haven’t I seen this somewhere before? Yes I have… several times! CE 317 fall 2012

41 CE 318 spring 2013

42 CE 329 fall 2013 Batch fermentation kinetics based on Monod’s equation

43 CE 407 spring 2014 Consider distillation of a saturated vapor feed stream comprising 24 mole percent L -lactic acid (light component) and 76 mole percent L -lactide (heavy component). The desired product is the heavy component, L -lactide, and it should be contaminated by only 0.4 mole percent L -lactic acid in the bottom product. The distillation is carried out at a pressure of 10 mm Hg. (a) What is the maximum percent recovery of L -lactide in the bottom product that could theoretically be achieved with an infinite number of stages? (b) Suppose the distillation is run such that the distillate has 48 mole percent L - lactic acid, the reflux ratio is 1.5 times the minimum reflux ratio, the column is fitted with a total condenser, and the trays all have a Murphree efficiency of 70%. Answer the following questions. (i) What is the temperature of the distillate stream? (ii) What is the percent recovery of L -lactide in the bottom product? (iii) How many trays are required, and on which tray should the feed enter? VLE data for binary mixtures of L -lactic acid and L -lactide at 10 mm Hg are provided below.


45    14 stages    13 stages

46 CE 427 fall 2014 Lactide process safety Chemical hazards Evaporation Distillation

47 …just reminding us that Elroy is here to stay…

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