Mathematical Formulation

We separate the financial and conversion-efficiency aspects of a production process, which are generic across all technologies, from the physical and technical aspects, which are necessarily specific to the particular process. The motivation for this is that the financial and waste computations can be done uniformly for any technology (even for disparate ones such as PV cells and biofuels) and that different experts may be required to assess the cost, waste, and techno-physical aspects of technological progress. Table 13 defines the indices that are used for the variables that are defined in Table 14.

Table 13 Definitions for set indices used for variable subscripts.

Set

Description

Examples

\(c \in \mathcal{C}\)

capital

equipment

\(f \in \mathcal{F}\)

fixed cost

rent, insurance

\(i \in \mathcal{I}\)

input

feedstock, labor

\(o \in \mathcal{O}\)

output

product, co-product, waste

\(m \in \mathcal{M}\)

metric

cost, jobs, carbon footprint, efficiency, lifetime

\(p \in \mathcal{P}\)

technical parameter

temperature, pressure

\(\nu \in N\)

technology type

electrolysis, PV cell

\(\theta \in \Theta\)

design

the result of a particular investment

\(\chi \in X\)

investment category

investment alternatives

\(\phi \in \Phi_\chi\)

investment

a particular investment

\(\omega \in \Omega\)

portfolio

a basket of investments

Table 14 Definitions for variables.

Variable

Type

Description

Units

\(K\)

calculated

unit cost

USD/unit

\(C_c\)

function

capital cost

USD

\(\tau_c\)

cost

lifetime of capital

year

\(S\)

cost

scale of operation

unit/year

\(F_f\)

function

fixed cost

USD/year

\(I_i\)

input

input quantity

input/unit

\(I^*_i\)

calculated

ideal input quantity

input/unit

\(\eta_i\)

waste

input efficiency

input/input

\(p_i\)

cost

input price

USD/input

\(O_o\)

calculated

output quantity

output/unit

\(O^*_o\)

calculated

ideal output quantity

output/unit

\(\eta^\prime_o\)

waste

output efficiency

output/output

\(p^\prime_o\)

cost

output price (+/-)

USD/output

\(\mu_m\)

calculated

metric

metric/unit

\(P_o\)

function

production function

output/unit

\(M_m\)

function

metric function

metric/unit

\(\alpha_p\)

parameter

technical parameter

(mixed)

\(\xi_\theta\)

variable

design inputs

(mixed)

\(\zeta_\theta\)

variable

design outputs

(mixed)

\(\psi\)

function

design evaluation

(mixed)

\(\sigma_\phi\)

function

design probability

1

\(q_\phi\)

variable

investment cost

USD

\(\mathbf{\zeta}_\phi\)

random variable

investment outcome

(mixed)

\(\mathbf{Z}(\omega)\)

random variable

portfolio outcome

(mixed)

\(Q(\omega)\)

calculated

portfolio cost

USD

\(Q^\mathrm{min}\)

parameter

minimum portfolio cost

USD

\(Q^\mathrm{max}\)

parameter

maximum portfolio cost

USD

\(q^\mathrm{min}_\phi\)

parameter

minimum category cost

USD

\(q^\mathrm{max}_\phi\)

parameter

maximum category cost

USD

\(Z^\mathrm{min}\)

parameter

minimum output/metric

(mixed)

\(Z^\mathrm{max}\)

parameter

maximum output/metric

(mixed)

\(\mathbb{F}\), \(\mathbb{G}\)

operator

evaluate probabilities

(mixed)

Cost

The cost characterizations (capital and fixed costs) are represented as functions of the scale of operations and of the technical parameters in the design:

  • Capital cost: \(C_c(S, \alpha_p)\).

  • Fixed cost: \(F_f(S, \alpha_p)\).

The per-unit cost is computed using a simple levelization formula:

\(K = \left( \sum_c C_c / \tau_c + \sum_f F_f \right) / S + \sum_i p_i \cdot I_i - \sum_o p^\prime_o \cdot O_o\)

Waste

The waste relative to the idealized production process is captured by the \(\eta\) parameters. Expert elicitation might estimate how the \(\eta\)s would change in response to R&D investment.

  • Waste of input: \(I^*_i = \eta_i I_i\).

  • Waste of output: \(O_o = \eta^\prime_o O^*_o\).

Production

The production function idealizes production by ignoring waste, but accounting for physical and technical processes (e.g., stoichiometry). This requires a technical model or a tabulation/fit of the results of technical modeling.

\(O^*_o = P_o(S, C_c, \tau_c, F_f, I^*_i, \alpha_p)\)

Metrics

Metrics such as efficiency, lifetime, or carbon footprint are also compute based on the physical and technical characteristics of the process. This requires a technical model or a tabulation/fit of the results of technical modeling. We use the convention that higher values are worse and lower values are better.

\(\mu_m = M_m(S, C_c, \tau_c, F_f, I_i, I^*_i, O^*_o, O_o, K, \alpha_p)\)

Designs

A design represents a state of affairs for a technology \(\nu\). If we denote the design as \(\theta\), we have the tuple of input variables

\(\xi_\theta = \left(S, C_c, \tau_c, F_f, I_i, \eta_i, \eta^\prime_o, \alpha_p, p_i, p^\prime_o\middle) \right|_\theta\)

and the tuple of output variables

\(\zeta_\theta = \left(K, I^*_i, O^*_o, O_o, \mu_m\middle) \right|_\theta\)

and their relationship

\(\zeta_\theta = \psi_\nu\left(\xi_\theta\middle) \right|_{\nu = \nu(\theta)}\)

given the tuple of functions

\(\psi_\nu = \left(P_o, M_m\middle) \right|_\nu\)

for the technology.

Investments

An investment \(\phi\) assigns a probability distribution to designs:

\(\sigma_\phi(\theta) = P\left(\theta \middle| \phi\right)\).

such that

\(\int d\theta \sigma_\phi(\theta) = 1\) or \(\sum_\theta \sigma_\phi(\theta) = 1\),

depending upon whether one is performing the computations discretely or continuously. Expectations and other measures on probability distributions can be computed from the \(\sigma_\phi(\theta)\). We treat the outcome \(\mathbf{\zeta}_\phi\) as a random variable for the outcomes \(\zeta_\theta\) according to the distribution \(\sigma_\phi(\theta)\).

Because investment options may be mutually exclusive, as is the case for investing in the same R&D at different funding levels, we say \(\Phi_\chi\) is the set of mutually exclusive investments (i.e., only one can occur simultaneously) in investment category \(\chi\): investments in different categories \(\chi\) can be combined arbitrarily, but just one investment from each \(\Phi_\chi\) may be chosen.

Thus the universe of all portfolios is \(\Omega = \prod_\chi \Phi_\chi\), so a particular portfolio \(\omega \in \Omega\) has components \(\phi = \omega_\chi \in \Phi_\chi\). The overall outcome of a portfolio is a random variable:

\(\mathbf{Z}(\omega) = \sum_\chi \mathbf{\zeta}_\phi \mid_{\phi = \omega_\chi}\)

The cost of an investment in one of the constituents \(\phi\) is \(q_\phi\), so the cost of a porfolio is:

\(Q(\omega) = \sum_\chi q_\phi \mid_{\phi = \omega_\chi}\)

Decision problem

The multi-objective decision problem is

\(\min_{\omega \in \Omega} \ \mathbb{F} \ \mathbf{Z}(\omega)\)

such that

\(Q^\mathrm{min} \leq Q(\omega) \leq Q^\mathrm{max}\) ,

\(q^\mathrm{min}_\phi \leq q_{\phi=\omega_\chi} \leq q^\mathrm{max}_\phi\) ,

\(Z^\mathrm{min} \leq \mathbb{G} \ \mathbf{Z}(\omega) \leq Z^\mathrm{max}\) ,

where \(\mathbb{F}\) and \(\mathbb{G}\) are the expectation operator \(\mathbb{E}\), the value-at-risk, or another operator on probability spaces. Recall that \(\mathbf{Z}\) is a vector with components for cost \(K\) and each metric \(\mu_m\), so this is a multi-objective problem.

The two-stage decision problem is a special case of the general problem outlined here: Each design \(\theta\) can be considers as a composite of one or more stages.

Experts

Each expert elicitation takes the form of an assessment of the probability and range (e.g., 10th to 90th percentile) of change in the cost or waste parameters or the production or metric functions. In essence, the expert elicitation defines \(\sigma_\phi(\theta)\) for each potential design \(\theta\) resulting from each investment \(\phi\).